smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccccc1CN1CCC[C@](C)(COc2ccncc2)C1 ZINC000257195727 1022779387 /nfs/dbraw/zinc/77/93/87/1022779387.db2.gz WTNYAERFADSZAT-NRFANRHFSA-N 0 3 340.467 4.161 50 0 EIAAHN C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1cnn(C2CCCC2)c1 ZINC000337460655 1026813588 /nfs/dbraw/zinc/81/35/88/1026813588.db2.gz KGCJSGQBOZMBCW-INIZCTEOSA-N 0 3 349.482 4.250 50 0 EIAAHN Cc1ccn(-c2ccccc2CN[C@@H](C)c2ccc(C(F)F)nc2)n1 ZINC000657924930 1030611888 /nfs/dbraw/zinc/61/18/88/1030611888.db2.gz JXJUXCYMTQLCKH-AWEZNQCLSA-N 0 3 342.393 4.364 50 0 EIAAHN CCOc1ccc(Cl)cc1[C@@H](C)NCCc1nc(C(C)C)no1 ZINC000089578053 1031953313 /nfs/dbraw/zinc/95/33/13/1031953313.db2.gz YSNPKYQHVOCKJG-GFCCVEGCSA-N 0 3 337.851 4.138 50 0 EIAAHN CC(C)COc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000152515573 1042887831 /nfs/dbraw/zinc/88/78/31/1042887831.db2.gz AQUAVOBLQFXVGK-FYSMJZIKSA-N 0 3 345.508 4.310 50 0 EIAAHN Cc1cnc(C2CC2)n1[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000575547129 1045256918 /nfs/dbraw/zinc/25/69/18/1045256918.db2.gz XEDABUCXWDJVDY-QGZVFWFLSA-N 0 3 331.410 4.184 50 0 EIAAHN CC(C)c1ccc(CN(C(=O)[C@H]2CCCCCN2C)C2CC2)cc1 ZINC000952963517 1049681669 /nfs/dbraw/zinc/68/16/69/1049681669.db2.gz KQBRMGMAOSPPTD-HXUWFJFHSA-N 0 3 328.500 4.175 50 0 EIAAHN O[C@@H](c1cccs1)C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000952978828 1049686341 /nfs/dbraw/zinc/68/63/41/1049686341.db2.gz YJEJIILUILDSJX-LJQANCHMSA-N 0 3 327.449 4.440 50 0 EIAAHN Cc1ccc(CN(C(=O)[C@@H]2CCCCCN2C)C2CCCC2)s1 ZINC000952973740 1049687381 /nfs/dbraw/zinc/68/73/81/1049687381.db2.gz AFVWEVQOKRGHIP-SFHVURJKSA-N 0 3 334.529 4.202 50 0 EIAAHN CC(C)N1C(=O)C2(CCN(Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000581801077 1060003780 /nfs/dbraw/zinc/00/37/80/1060003780.db2.gz VKPOOTFECXLXBB-NRFANRHFSA-N 0 3 348.490 4.261 50 0 EIAAHN COc1ccccc1-c1ccc(Oc2ccc(CN(C)C)cc2)nn1 ZINC000067754291 215203214 /nfs/dbraw/zinc/20/32/14/215203214.db2.gz XBOQAPWRLGCWBI-UHFFFAOYSA-N 0 3 335.407 4.006 50 0 EIAAHN CN1CCN(CCCCCCOc2cccc3ccccc32)CC1 ZINC000019706948 202016489 /nfs/dbraw/zinc/01/64/89/202016489.db2.gz XQANBWSRZAXEER-UHFFFAOYSA-N 0 3 326.484 4.026 50 0 EIAAHN C[C@@H](NCc1cccc(OCc2ccccc2)c1)[C@@H](O)c1ccccc1 ZINC000019871857 202023818 /nfs/dbraw/zinc/02/38/18/202023818.db2.gz PYOXLNRAYGCQDI-WZONZLPQSA-N 0 3 347.458 4.477 50 0 EIAAHN CCCCN1C(=O)C2=C(CCCC2)[C@H]1N[C@H](C)CCc1ccccc1 ZINC000019907715 202025368 /nfs/dbraw/zinc/02/53/68/202025368.db2.gz PILDCWFKZJVIIB-UTKZUKDTSA-N 0 3 340.511 4.436 50 0 EIAAHN CN(CC[C@@H]1CCCCO1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000023368400 202103304 /nfs/dbraw/zinc/10/33/04/202103304.db2.gz LGPATBOCBZMPAJ-KRWDZBQOSA-N 0 3 339.439 4.214 50 0 EIAAHN COc1ccc(C)cc1CCNCc1c(C)nn(-c2ccccc2)c1C ZINC000023466528 202104912 /nfs/dbraw/zinc/10/49/12/202104912.db2.gz DZHWHWQONCBMIB-UHFFFAOYSA-N 0 3 349.478 4.138 50 0 EIAAHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000032764936 202233690 /nfs/dbraw/zinc/23/36/90/202233690.db2.gz QVIIFNOYXMDQEN-FCHUYYIVSA-N 0 3 348.490 4.060 50 0 EIAAHN C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F ZINC000032851135 202237697 /nfs/dbraw/zinc/23/76/97/202237697.db2.gz HFLSHCPPMBBRGF-MEDUHNTESA-N 0 3 332.806 4.083 50 0 EIAAHN COc1cc(Cl)c(C)cc1NC(=O)CN(C)C1CCCCCC1 ZINC000032858120 202238275 /nfs/dbraw/zinc/23/82/75/202238275.db2.gz DGYNJUVTKNJMJK-UHFFFAOYSA-N 0 3 338.879 4.250 50 0 EIAAHN Clc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000022877256 212331719 /nfs/dbraw/zinc/33/17/19/212331719.db2.gz OADCBMJTFBFQAR-MRXNPFEDSA-N 0 3 335.278 4.358 50 0 EIAAHN CCc1ccc([C@H](CNC(=O)[C@H](CC)c2ccccc2)N(C)C)cc1 ZINC000022684814 212316697 /nfs/dbraw/zinc/31/66/97/212316697.db2.gz YQOMTSRWUYFXTA-RTWAWAEBSA-N 0 3 338.495 4.162 50 0 EIAAHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCc1ccccc1 ZINC000061002744 202784741 /nfs/dbraw/zinc/78/47/41/202784741.db2.gz UIRJURKEGMTNDY-UHFFFAOYSA-N 0 3 343.833 4.306 50 0 EIAAHN CCOC(=O)C1CCN(CCCOc2ccccc2[C@H](C)CC)CC1 ZINC000006702897 201691028 /nfs/dbraw/zinc/69/10/28/201691028.db2.gz WYWWNTUAGXAJBO-QGZVFWFLSA-N 0 3 347.499 4.244 50 0 EIAAHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1C[C@@H]1c1ccccc1 ZINC000071828162 203122257 /nfs/dbraw/zinc/12/22/57/203122257.db2.gz HNJYBQKKRWYLRQ-IFMALSPDSA-N 0 3 331.463 4.194 50 0 EIAAHN Cc1cc(N2CCC[C@@H](OCc3cccnc3)C2)c2ccccc2n1 ZINC000077300803 203378374 /nfs/dbraw/zinc/37/83/74/203378374.db2.gz NXFMZRVWQZXYMK-GOSISDBHSA-N 0 3 333.435 4.124 50 0 EIAAHN c1cnn(CC[C@H]2CCCCN2Cc2cncn2C2CCCCC2)c1 ZINC000077393432 203385660 /nfs/dbraw/zinc/38/56/60/203385660.db2.gz JEBVBLWPFRDZSZ-GOSISDBHSA-N 0 3 341.503 4.030 50 0 EIAAHN COCCC[C@@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000077456522 203389330 /nfs/dbraw/zinc/38/93/30/203389330.db2.gz SIDDZSXCBCLAFZ-KRWDZBQOSA-N 0 3 331.504 4.163 50 0 EIAAHN Cc1nnc(-c2ccc(-c3ccc(OCCN4CCCC4)cc3)cc2)o1 ZINC000096165241 258067778 /nfs/dbraw/zinc/06/77/78/258067778.db2.gz WCPVLXYIQDFSFU-UHFFFAOYSA-N 0 3 349.434 4.187 50 0 EIAAHN CCCN(CCC)[C@H](C)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000002999424 521650370 /nfs/dbraw/zinc/65/03/70/521650370.db2.gz SODFWAHNAQBQBK-GOSISDBHSA-N 0 3 330.516 4.125 50 0 EIAAHN COc1ccc(CCNCc2ccc(CSC(F)F)o2)cc1 ZINC000025539130 523975503 /nfs/dbraw/zinc/97/55/03/523975503.db2.gz KJTFQLFEAMCUPX-UHFFFAOYSA-N 0 3 327.396 4.076 50 0 EIAAHN Cc1ccc(NC(=S)NCC(C)(C)N2CCCCC2)cc1Cl ZINC000006948373 564102116 /nfs/dbraw/zinc/10/21/16/564102116.db2.gz PVMCSXJLPRSQBN-UHFFFAOYSA-N 0 3 339.936 4.199 50 0 EIAAHN CCN(CC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000003289418 564156997 /nfs/dbraw/zinc/15/69/97/564156997.db2.gz RWHWWCSTRFTGSN-UHFFFAOYSA-N 0 3 339.277 4.042 50 0 EIAAHN Cc1ccc(C)c(N2CCN([C@H](C)CCc3ccc(O)cc3)CC2)c1 ZINC000000280438 563271849 /nfs/dbraw/zinc/27/18/49/563271849.db2.gz CSKFLVUELGEZKB-LJQANCHMSA-N 0 3 338.495 4.152 50 0 EIAAHN CN(C)CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003099943 563472022 /nfs/dbraw/zinc/47/20/22/563472022.db2.gz OMLNFJPOANEAKR-UHFFFAOYSA-N 0 3 349.515 4.025 50 0 EIAAHN C[C@H](NC[C@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000004477670 563503203 /nfs/dbraw/zinc/50/32/03/563503203.db2.gz HXFPAKGMNBNTBT-VHBXLISGSA-N 0 3 333.516 4.320 50 0 EIAAHN Fc1ccc(COc2ccc(Cl)cc2CNC[C@H]2CCCO2)cc1 ZINC000004657496 563506897 /nfs/dbraw/zinc/50/68/97/563506897.db2.gz GOLFSHFSRMRWQD-GOSISDBHSA-N 0 3 349.833 4.327 50 0 EIAAHN CCCN(Cc1cc(Br)c(OC)cc1OC)CC1CC1 ZINC000004988625 563517845 /nfs/dbraw/zinc/51/78/45/563517845.db2.gz GLQROGMOZWQQMM-UHFFFAOYSA-N 0 3 342.277 4.088 50 0 EIAAHN C[C@@H](NC[C@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000005073649 563520581 /nfs/dbraw/zinc/52/05/81/563520581.db2.gz BBJFXYAQZMJWIG-APWZRJJASA-N 0 3 327.468 4.075 50 0 EIAAHN CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010335053 563647605 /nfs/dbraw/zinc/64/76/05/563647605.db2.gz CWOXFLIEIKARDT-UHFFFAOYSA-N 0 3 338.451 4.324 50 0 EIAAHN Fc1ccc(-c2ccc(CNC[C@@H]3COc4ccccc4O3)o2)cc1 ZINC000032740378 563721089 /nfs/dbraw/zinc/72/10/89/563721089.db2.gz WPFALZCPSHKESS-QGZVFWFLSA-N 0 3 339.366 4.015 50 0 EIAAHN CCc1ccc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000014953914 563768047 /nfs/dbraw/zinc/76/80/47/563768047.db2.gz KLEVJYPJAAFBPZ-HXUWFJFHSA-N 0 3 347.886 4.313 50 0 EIAAHN Fc1cccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccco3)C2)c1 ZINC000019111178 563853524 /nfs/dbraw/zinc/85/35/24/563853524.db2.gz CTSYILICOQCVRK-HNNXBMFYSA-N 0 3 325.387 4.188 50 0 EIAAHN COc1ccc2cc(CN(C)C[C@H](O)c3ccc(F)cc3)ccc2c1 ZINC000025233947 563882372 /nfs/dbraw/zinc/88/23/72/563882372.db2.gz ZTYGYUPNRBOFLG-NRFANRHFSA-N 0 3 339.410 4.153 50 0 EIAAHN Cc1ccnc(C[C@H](C)N(C)Cc2cccc(Oc3ncccn3)c2)c1 ZINC000055035873 563933340 /nfs/dbraw/zinc/93/33/40/563933340.db2.gz GXAHGHLOOPHRHM-KRWDZBQOSA-N 0 3 348.450 4.035 50 0 EIAAHN CC[C@@H](C)N(Cc1cccnc1)Cc1ccccc1Cn1cccn1 ZINC000055392802 563934608 /nfs/dbraw/zinc/93/46/08/563934608.db2.gz KPYDPBJJZMSKNH-GOSISDBHSA-N 0 3 334.467 4.127 50 0 EIAAHN COC(=O)c1oc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1C ZINC000058356269 563943409 /nfs/dbraw/zinc/94/34/09/563943409.db2.gz HSCCVOLASLTPQD-UHFFFAOYSA-N 0 3 331.456 4.023 50 0 EIAAHN CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2cccnc2)no1 ZINC000058523871 563946683 /nfs/dbraw/zinc/94/66/83/563946683.db2.gz RADWUCFYGCKYPE-MOPGFXCFSA-N 0 3 348.450 4.290 50 0 EIAAHN C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccs1 ZINC000096477594 563955016 /nfs/dbraw/zinc/95/50/16/563955016.db2.gz XKJGTGKOJDMYJT-ZIAGYGMSSA-N 0 3 348.487 4.260 50 0 EIAAHN Cc1ccc(-c2c(-c3ccccc3)ncn2[C@H]2CN3CCC2CC3)o1 ZINC000065370638 563958336 /nfs/dbraw/zinc/95/83/36/563958336.db2.gz WSOQWXNXXCVECJ-SFHVURJKSA-N 0 3 333.435 4.385 50 0 EIAAHN C[C@H](CCc1cccn1C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000097009658 563966656 /nfs/dbraw/zinc/96/66/56/563966656.db2.gz WPDJKKMSXNKVSD-CQSZACIVSA-N 0 3 343.471 4.399 50 0 EIAAHN C[C@H](C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)c1cccs1 ZINC000097165431 563968512 /nfs/dbraw/zinc/96/85/12/563968512.db2.gz SHJOXLLHZVOLMF-JXFKEZNVSA-N 0 3 342.508 4.023 50 0 EIAAHN COc1ccc2[nH]c(-c3ccccc3)c(CN3CCCC3)c(=O)c2c1 ZINC000008571810 563974239 /nfs/dbraw/zinc/97/42/39/563974239.db2.gz ZLUGJPBVGZDUCF-UHFFFAOYSA-N 0 3 334.419 4.212 50 0 EIAAHN c1ccc2c(c1)Sc1cccc(-c3nc4c([nH]3)CNCC4)c1S2 ZINC000095391288 563976917 /nfs/dbraw/zinc/97/69/17/563976917.db2.gz BVBHDIKNKKPKSB-UHFFFAOYSA-N 0 3 337.473 4.338 50 0 EIAAHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000014180348 563983355 /nfs/dbraw/zinc/98/33/55/563983355.db2.gz UEOHMWSLBSNFSO-MRXNPFEDSA-N 0 3 336.479 4.118 50 0 EIAAHN Cc1cccc(NC(=S)N(C(C)C)C2CCN(C(C)C)CC2)c1 ZINC000000261504 563989664 /nfs/dbraw/zinc/98/96/64/563989664.db2.gz PKBNMATZHNTGCQ-UHFFFAOYSA-N 0 3 333.545 4.275 50 0 EIAAHN Cc1ccc(NC(=S)N(CCN(C)C)[C@H](C)c2ccco2)c(C)c1 ZINC000000263807 563989831 /nfs/dbraw/zinc/98/98/31/563989831.db2.gz XNCRMZIYHBAZGF-MRXNPFEDSA-N 0 3 345.512 4.218 50 0 EIAAHN O[C@@H](CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000001851251 563996118 /nfs/dbraw/zinc/99/61/18/563996118.db2.gz GGUSQTSTQSHJAH-FQEVSTJZSA-N 0 3 347.861 4.467 50 0 investigational EIAAHN COc1cc2c(cc1CN[C@@H]1CCCC[C@H]1C(F)(F)F)O[C@H](C)C2 ZINC000252517522 563997827 /nfs/dbraw/zinc/99/78/27/563997827.db2.gz KNQCITVAWDNUOT-KCPJHIHWSA-N 0 3 343.389 4.229 50 0 EIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1Cl ZINC000005446800 564004078 /nfs/dbraw/zinc/00/40/78/564004078.db2.gz PLCBAAFOBRUHFI-LPHOPBHVSA-N 0 3 340.854 4.097 50 0 EIAAHN COc1ccc(C[C@@H](NCc2cccnc2)c2ccc(OC)cc2)cc1 ZINC000017317780 564011643 /nfs/dbraw/zinc/01/16/43/564011643.db2.gz SYRJGWYEQVCMRN-JOCHJYFZSA-N 0 3 348.446 4.172 50 0 EIAAHN CC(C)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000048715388 564032123 /nfs/dbraw/zinc/03/21/23/564032123.db2.gz DVKLCKVVNSVZDC-HNNXBMFYSA-N 0 3 338.451 4.209 50 0 EIAAHN CN(Cc1ccccc1)C(=O)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000000785796 564034274 /nfs/dbraw/zinc/03/42/74/564034274.db2.gz LWWGZUGDKYQPNY-MDWZMJQESA-N 0 3 348.490 4.070 50 0 EIAAHN Cc1csc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1Cl ZINC000239672621 564051686 /nfs/dbraw/zinc/05/16/86/564051686.db2.gz 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/nfs/dbraw/zinc/01/98/29/216019829.db2.gz IOFMPUJJUWBZAQ-UHFFFAOYSA-N 0 3 343.430 4.424 50 0 EIAAHN c1ccc(C2(c3ccccc3)C[C@H]2CN2CC(c3ccncc3)C2)cc1 ZINC000072142956 216028107 /nfs/dbraw/zinc/02/81/07/216028107.db2.gz VZNZERIOBMILGO-QHCPKHFHSA-N 0 3 340.470 4.487 50 0 EIAAHN COC[C@H]1CCCCN1Cc1ccc(OCC=C(C)C)c(OC)c1 ZINC000215822286 241146599 /nfs/dbraw/zinc/14/65/99/241146599.db2.gz WEAACGXPQBHJNE-GOSISDBHSA-N 0 3 333.472 4.041 50 0 EIAAHN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(C)c1)NCC2 ZINC000020506898 212141420 /nfs/dbraw/zinc/14/14/20/212141420.db2.gz WTVGYFTYGISDAS-OAQYLSRUSA-N 0 3 341.451 4.036 50 0 biogenic EIAAHN CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(O)c(C)c1)NCC2 ZINC000020507007 212140949 /nfs/dbraw/zinc/14/09/49/212140949.db2.gz NQOWXNNPHFBNDI-FQEVSTJZSA-N 0 3 341.451 4.042 50 0 EIAAHN FC(F)(F)c1cnc(C[C@@H]2NCCc3ccccc32)c(Cl)c1 ZINC000020389248 212124558 /nfs/dbraw/zinc/12/45/58/212124558.db2.gz WOCFRHHBLPZBOD-AWEZNQCLSA-N 0 3 326.749 4.183 50 0 EIAAHN c1ccc(CNCc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019737833 212059546 /nfs/dbraw/zinc/05/95/46/212059546.db2.gz ICOXFVIYZXWJFH-UHFFFAOYSA-N 0 3 333.431 4.434 50 0 EIAAHN Nc1c2c(nc3ccc(Br)cc13)N(c1ccccc1)CC2 ZINC000018276089 211993900 /nfs/dbraw/zinc/99/39/00/211993900.db2.gz DNFFJORSUVCABG-UHFFFAOYSA-N 0 3 340.224 4.274 50 0 EIAAHN Cc1ncc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)s1 ZINC000012474409 211390592 /nfs/dbraw/zinc/39/05/92/211390592.db2.gz KCPSVMFGWGPOMD-UHFFFAOYSA-N 0 3 343.496 4.082 50 0 EIAAHN CN(C(=O)CC1=CCCCC1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012438369 211381341 /nfs/dbraw/zinc/38/13/41/211381341.db2.gz CTMAHIWRNVSJDN-NRFANRHFSA-N 0 3 340.511 4.042 50 0 EIAAHN COc1ccc(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1O ZINC000012319703 211344021 /nfs/dbraw/zinc/34/40/21/211344021.db2.gz NOMMNZQFRKCLSG-LJQANCHMSA-N 0 3 340.467 4.094 50 0 EIAAHN Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NCc1ccccc1 ZINC000012298783 211336453 /nfs/dbraw/zinc/33/64/53/211336453.db2.gz LBCGMDFJCDWYMR-QGZVFWFLSA-N 0 3 338.499 4.406 50 0 EIAAHN Cc1c2ccccc2[nH]c1CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000012302886 211339525 /nfs/dbraw/zinc/33/95/25/211339525.db2.gz OHFOOAUSUJZTHQ-UHFFFAOYSA-N 0 3 348.490 4.294 50 0 EIAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1C1CCCCCCC1 ZINC000012134819 211301255 /nfs/dbraw/zinc/30/12/55/211301255.db2.gz NHLIZROZLMZLLZ-LJQANCHMSA-N 0 3 346.490 4.409 50 0 EIAAHN CCc1nc(C)sc1CN1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095387248 218318807 /nfs/dbraw/zinc/31/88/07/218318807.db2.gz NTEYONVMOZBHPP-HNNXBMFYSA-N 0 3 332.517 4.171 50 0 EIAAHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000095419574 218359418 /nfs/dbraw/zinc/35/94/18/218359418.db2.gz GFRDZYHAKFQRGS-IERDGZPVSA-N 0 3 347.462 4.337 50 0 EIAAHN CCN(CC)CCSc1nnc(-c2cccc3ccccc32)o1 ZINC000095468560 218407054 /nfs/dbraw/zinc/40/70/54/218407054.db2.gz KQYKWFYJXGSJPG-UHFFFAOYSA-N 0 3 327.453 4.324 50 0 EIAAHN CSc1cccc(N(C(=O)c2occc2C)C2CCN(C)CC2)c1 ZINC000112248010 220272837 /nfs/dbraw/zinc/27/28/37/220272837.db2.gz RUHMGZCQCBEJNF-UHFFFAOYSA-N 0 3 344.480 4.051 50 0 EIAAHN Cc1nc(CCN2CCC(c3nc4ccccc4o3)CC2)cs1 ZINC000118961175 221210692 /nfs/dbraw/zinc/21/06/92/221210692.db2.gz CJDKAUUIOBEXLV-UHFFFAOYSA-N 0 3 327.453 4.015 50 0 EIAAHN COc1ccc(CNCc2cccc(OC)c2OC)c2ccccc12 ZINC000000172183 258047721 /nfs/dbraw/zinc/04/77/21/258047721.db2.gz PKCIQDZGRVGTGO-UHFFFAOYSA-N 0 3 337.419 4.155 50 0 EIAAHN C[C@H]1CCCCN1C1CN(C(=O)Nc2cccc(-c3ccco3)c2)C1 ZINC000299796201 258100517 /nfs/dbraw/zinc/10/05/17/258100517.db2.gz OFHALQJTKUNNEI-HNNXBMFYSA-N 0 3 339.439 4.037 50 0 EIAAHN O[C@H](CNCc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000075772289 258065378 /nfs/dbraw/zinc/06/53/78/258065378.db2.gz IMXPVDJTXSLWFX-JOCHJYFZSA-N 0 3 333.431 4.089 50 0 EIAAHN O=C(Nc1ccccc1CN1CCCCC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000299766989 258081598 /nfs/dbraw/zinc/08/15/98/258081598.db2.gz GJBLSPQQPHOZTF-HDICACEKSA-N 0 3 339.483 4.102 50 0 EIAAHN CCCOc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1OC ZINC000001817341 563413530 /nfs/dbraw/zinc/41/35/30/563413530.db2.gz JHWGOXBHJAQYEN-HXUWFJFHSA-N 0 3 336.435 4.200 50 0 biogenic EIAAHN O[C@]12CCCC[C@H]1[C@@H](c1cccc(OCc3ccccc3)c1)NCC2 ZINC000005683301 563545591 /nfs/dbraw/zinc/54/55/91/563545591.db2.gz NXWLYGWIEVOKFF-BDTNDASRSA-N 0 3 337.463 4.221 50 0 EIAAHN Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000006699926 563579477 /nfs/dbraw/zinc/57/94/77/563579477.db2.gz NXDMFIIYAGWAHD-UHFFFAOYSA-N 0 3 337.467 4.090 50 0 EIAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1cccc(F)c1 ZINC000006700441 563579483 /nfs/dbraw/zinc/57/94/83/563579483.db2.gz NCTXNVMASQVKOA-UHFFFAOYSA-N 0 3 327.403 4.456 50 0 EIAAHN CCN(CC)Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000032827439 563757206 /nfs/dbraw/zinc/75/72/06/563757206.db2.gz MTGZNORURYLUTF-UHFFFAOYSA-N 0 3 340.442 4.338 50 0 EIAAHN CN(Cc1cccc2ccccc21)Cc1ccccc1N1CCOCC1 ZINC000016424423 563811013 /nfs/dbraw/zinc/81/10/13/563811013.db2.gz WJOFDMWLVQWAHK-UHFFFAOYSA-N 0 3 346.474 4.308 50 0 EIAAHN Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027581885 563897189 /nfs/dbraw/zinc/89/71/89/563897189.db2.gz TYFCZWBGPKRXSI-FQEVSTJZSA-N 0 3 340.442 4.091 50 0 EIAAHN Cc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027741339 563899299 /nfs/dbraw/zinc/89/92/99/563899299.db2.gz OIVZYFFCWUTGQA-GOSISDBHSA-N 0 3 342.508 4.404 50 0 EIAAHN O=C(CCN1CCc2ccccc2C1)Nc1cccc2ccccc21 ZINC000028842506 563904322 /nfs/dbraw/zinc/90/43/22/563904322.db2.gz ICXNNWKULMDYKC-UHFFFAOYSA-N 0 3 330.431 4.227 50 0 EIAAHN CCOc1ccccc1OCCN1CCC(Cc2ccccc2)CC1 ZINC000004845352 563919017 /nfs/dbraw/zinc/91/90/17/563919017.db2.gz JPBNGWPHLUZKBL-UHFFFAOYSA-N 0 3 339.479 4.419 50 0 EIAAHN COc1ccc(/C=C/C2=CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000004990292 563919033 /nfs/dbraw/zinc/91/90/33/563919033.db2.gz PFGACNCYPUZIOS-VQKOGROQSA-N 0 3 335.447 4.074 50 0 EIAAHN c1ccc(CN2CC[C@H](Nc3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033010786 563925095 /nfs/dbraw/zinc/92/50/95/563925095.db2.gz ORQCPTYXOKEATH-INIZCTEOSA-N 0 3 344.418 4.062 50 0 EIAAHN CCOC(=O)CCCCCC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000043210880 563925419 /nfs/dbraw/zinc/92/54/19/563925419.db2.gz KJMIEQBDETXVBG-UHFFFAOYSA-N 0 3 345.483 4.369 50 0 EIAAHN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccccc2)CC1 ZINC000044932983 563928423 /nfs/dbraw/zinc/92/84/23/563928423.db2.gz UNKWLUYKBRHNMK-JOCHJYFZSA-N 0 3 348.490 4.092 50 0 EIAAHN CC(C)Cc1nc2cccnc2n1C1CCN(Cc2ccccc2)CC1 ZINC000033048108 563935011 /nfs/dbraw/zinc/93/50/11/563935011.db2.gz NMHZWMBZXUGFKB-UHFFFAOYSA-N 0 3 348.494 4.467 50 0 EIAAHN Fc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1Cl ZINC000057354901 563935576 /nfs/dbraw/zinc/93/55/76/563935576.db2.gz NIDXGZXAMUSPLV-UHFFFAOYSA-N 0 3 346.789 4.303 50 0 EIAAHN CC(C)C[C@H](NC(=O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000060367765 563935778 /nfs/dbraw/zinc/93/57/78/563935778.db2.gz FSONITRSWBUOPV-INIZCTEOSA-N 0 3 344.421 4.249 50 0 EIAAHN CC(C)(C)[C@@H](NCC(=O)N1CCc2ccccc21)c1cccs1 ZINC000058377461 563944197 /nfs/dbraw/zinc/94/41/97/563944197.db2.gz YVEXUHRGFGKBHM-SFHVURJKSA-N 0 3 328.481 4.014 50 0 EIAAHN CC(C)(C)[C@H](NCC(=O)N1CCc2ccccc21)c1cccs1 ZINC000058377460 563944206 /nfs/dbraw/zinc/94/42/06/563944206.db2.gz YVEXUHRGFGKBHM-GOSISDBHSA-N 0 3 328.481 4.014 50 0 EIAAHN CN1CCC(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000065363680 563958264 /nfs/dbraw/zinc/95/82/64/563958264.db2.gz ZKWJVYMTUXJFQX-UHFFFAOYSA-N 0 3 344.842 4.065 50 0 EIAAHN CC(C)(C)c1cc(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)[nH]n1 ZINC000077298295 563968809 /nfs/dbraw/zinc/96/88/09/563968809.db2.gz OVGPLHLBTVJTAE-INIZCTEOSA-N 0 3 341.434 4.060 50 0 EIAAHN C[C@@H]1CCCCN1C1CN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000077300147 563968838 /nfs/dbraw/zinc/96/88/38/563968838.db2.gz JPBVFVNBJSJEQJ-CYBMUJFWSA-N 0 3 331.460 4.012 50 0 EIAAHN Cc1ccc([C@H](C)CCN(C)Cc2cc(-c3cccnc3)no2)o1 ZINC000077354714 563969104 /nfs/dbraw/zinc/96/91/04/563969104.db2.gz YFJUIGBUUQFECM-CQSZACIVSA-N 0 3 325.412 4.264 50 0 EIAAHN c1cc(Oc2ccccc2)oc1CN[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000097236028 563970708 /nfs/dbraw/zinc/97/07/08/563970708.db2.gz VVBSSJGZIGDNHO-KXBFYZLASA-N 0 3 345.464 4.216 50 0 EIAAHN CCc1ccc([C@@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000060831636 563976214 /nfs/dbraw/zinc/97/62/14/563976214.db2.gz PVDNCRYXAUTKIA-CQSZACIVSA-N 0 3 329.440 4.126 50 0 EIAAHN CN(C)CCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 ZINC000005342171 564002844 /nfs/dbraw/zinc/00/28/44/564002844.db2.gz SKSYBHXULRJCPY-MRCUWXFGSA-N 0 3 337.492 4.401 50 0 EIAAHN CCN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1C ZINC000062580534 564006503 /nfs/dbraw/zinc/00/65/03/564006503.db2.gz FKNHRACMQDPALP-HXUWFJFHSA-N 0 3 336.479 4.055 50 0 EIAAHN Cc1cc(C(=O)NC[C@@H](C)N2CCCCC2)sc1-c1ccccc1 ZINC000526052385 564007229 /nfs/dbraw/zinc/00/72/29/564007229.db2.gz GUNUPZINOXOFMF-MRXNPFEDSA-N 0 3 342.508 4.328 50 0 EIAAHN COc1cc(Br)c(CN[C@H]2CCCC[C@@H]2C)cc1OC ZINC000000183496 564012172 /nfs/dbraw/zinc/01/21/72/564012172.db2.gz UCXXVXIRWXGCGZ-FZMZJTMJSA-N 0 3 342.277 4.135 50 0 EIAAHN Brc1ccc2c(c1)[C@H](c1c[nH]c3ccccc31)NCC2 ZINC000526055994 564017805 /nfs/dbraw/zinc/01/78/05/564017805.db2.gz KHLGLGAFUULBJR-QGZVFWFLSA-N 0 3 327.225 4.166 50 0 EIAAHN COc1ccc(C(=O)[C@@H](CN2CCCCC2)c2ccccc2)cc1F ZINC000000494915 564017894 /nfs/dbraw/zinc/01/78/94/564017894.db2.gz LWCQYWHRSSTYNS-SFHVURJKSA-N 0 3 341.426 4.287 50 0 EIAAHN C[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000015565851 564024241 /nfs/dbraw/zinc/02/42/41/564024241.db2.gz ZBUQQLTXAIUSEC-NSHDSACASA-N 0 3 334.213 4.029 50 0 EIAAHN Cc1ccc(-n2nnnc2C2(NC3CCCCC3)CCCCC2)cc1 ZINC000046078302 564029465 /nfs/dbraw/zinc/02/94/65/564029465.db2.gz KHRSNJIBXRGSOA-UHFFFAOYSA-N 0 3 339.487 4.052 50 0 EIAAHN Cc1nccn1-c1ccc(CNCc2cccc3ccccc32)cn1 ZINC000048782242 564032179 /nfs/dbraw/zinc/03/21/79/564032179.db2.gz VVZMWWJTPNMJIB-UHFFFAOYSA-N 0 3 328.419 4.019 50 0 EIAAHN CCCNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248021547 564052956 /nfs/dbraw/zinc/05/29/56/564052956.db2.gz UTOUBEPLTKAAKN-UHFFFAOYSA-N 0 3 340.858 4.146 50 0 EIAAHN c1ccc(Cn2nc(CNC3CCCC3)c(-c3ccccc3)n2)cc1 ZINC000248108068 564052986 /nfs/dbraw/zinc/05/29/86/564052986.db2.gz MFXSMAMXLNOREH-UHFFFAOYSA-N 0 3 332.451 4.026 50 0 EIAAHN Cc1ccccc1Cn1nc(CNC(C)(C)C)c(-c2ccccc2)n1 ZINC000248135133 564053050 /nfs/dbraw/zinc/05/30/50/564053050.db2.gz CMZSVZBVLPOSRT-UHFFFAOYSA-N 0 3 334.467 4.190 50 0 EIAAHN C[C@H](c1cccs1)N(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000084661327 564069485 /nfs/dbraw/zinc/06/94/85/564069485.db2.gz FYPHJVJLNYYTKL-OAHLLOKOSA-N 0 3 328.481 4.177 50 0 EIAAHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000012809649 564072536 /nfs/dbraw/zinc/07/25/36/564072536.db2.gz WRNMDDVBKGRLBU-KPZWWZAWSA-N 0 3 330.378 4.033 50 0 EIAAHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000012809654 564072546 /nfs/dbraw/zinc/07/25/46/564072546.db2.gz WRNMDDVBKGRLBU-XIKOKIGWSA-N 0 3 330.378 4.033 50 0 EIAAHN COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012809204 564072619 /nfs/dbraw/zinc/07/26/19/564072619.db2.gz QQFMOLYMULISNT-HXUWFJFHSA-N 0 3 349.430 4.447 50 0 EIAAHN COc1ccc(-c2nc(C)c([C@@H](C)NCc3cc[nH]c3)s2)cc1 ZINC000086254129 564075469 /nfs/dbraw/zinc/07/54/69/564075469.db2.gz 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C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000005073651 210385297 /nfs/dbraw/zinc/38/52/97/210385297.db2.gz BBJFXYAQZMJWIG-QFBILLFUSA-N 0 3 327.468 4.075 50 0 EIAAHN Cc1cc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc1C(C)C ZINC000005073662 210384917 /nfs/dbraw/zinc/38/49/17/210384917.db2.gz FEHSPDGIMNPGSF-HKUYNNGSSA-N 0 3 327.468 4.209 50 0 EIAAHN COc1cc(CNC(C)C)c(Br)cc1OC1CCCC1 ZINC000005013862 210361802 /nfs/dbraw/zinc/36/18/02/210361802.db2.gz NJIPGYWUMQPJEH-UHFFFAOYSA-N 0 3 342.277 4.277 50 0 EIAAHN C1=CC2(CCN(Cc3cc(-c4ccncc4)no3)CC2)c2ccccc21 ZINC000244774223 533479666 /nfs/dbraw/zinc/47/96/66/533479666.db2.gz PPVWSVKMUGNPLZ-UHFFFAOYSA-N 0 3 343.430 4.297 50 0 EIAAHN Cc1ccc(CN(CCC(C)C)C[C@H](O)COc2ccccc2)s1 ZINC000036101643 524406200 /nfs/dbraw/zinc/40/62/00/524406200.db2.gz NHRLOZDNZUYYRP-SFHVURJKSA-N 0 3 347.524 4.345 50 0 EIAAHN CC[C@@H](N[C@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 ZINC000163820617 529205704 /nfs/dbraw/zinc/20/57/04/529205704.db2.gz GOWLBMWEZWPDJP-IIBYNOLFSA-N 0 3 340.467 4.441 50 0 EIAAHN CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1(C)C ZINC000229625647 535371938 /nfs/dbraw/zinc/37/19/38/535371938.db2.gz QYUAOULWNVCYBT-MTFMMBMASA-N 0 3 340.511 4.177 50 0 EIAAHN CN(C)Cc1ccc(CN(C)Cc2ccc([C@H]3CCCCO3)o2)cc1 ZINC000215032110 536001812 /nfs/dbraw/zinc/00/18/12/536001812.db2.gz HCJSFUZIMOMQKN-HXUWFJFHSA-N 0 3 342.483 4.215 50 0 EIAAHN COc1cc(Br)c(CN[C@H]2CCCC[C@H]2C)cc1OC ZINC000000183499 564012157 /nfs/dbraw/zinc/01/21/57/564012157.db2.gz UCXXVXIRWXGCGZ-RISCZKNCSA-N 0 3 342.277 4.135 50 0 EIAAHN CCOC(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000000293755 563274127 /nfs/dbraw/zinc/27/41/27/563274127.db2.gz LWFQOCDKPRJZQE-SFHVURJKSA-N 0 3 339.435 4.254 50 0 EIAAHN O=C(C1COc2ccccc2O1)N(c1ccccc1)c1ccccc1 ZINC000000507371 563339301 /nfs/dbraw/zinc/33/93/01/563339301.db2.gz JETAYAQTYKCPDR-FQEVSTJZSA-N 0 3 331.371 4.191 50 0 EIAAHN FC(F)(F)c1cccc(N2CCN(CCCc3ccccc3)CC2)c1 ZINC000004980892 563517014 /nfs/dbraw/zinc/51/70/14/563517014.db2.gz BIOSBCIKBPHJTQ-UHFFFAOYSA-N 0 3 348.412 4.460 50 0 EIAAHN O[C@]12CCCC[C@H]1[C@H](c1cccc(OCc3ccccc3)c1)NCC2 ZINC000005683306 563545493 /nfs/dbraw/zinc/54/54/93/563545493.db2.gz NXWLYGWIEVOKFF-FKBYEOEOSA-N 0 3 337.463 4.221 50 0 EIAAHN COc1ccc(C[C@@H](C)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012383613 563659402 /nfs/dbraw/zinc/65/94/02/563659402.db2.gz ZGOBGUXYDWORCM-MRXNPFEDSA-N 0 3 344.886 4.102 50 0 EIAAHN COc1ccc(C[C@H](C)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012383612 563659409 /nfs/dbraw/zinc/65/94/09/563659409.db2.gz ZGOBGUXYDWORCM-INIZCTEOSA-N 0 3 344.886 4.102 50 0 EIAAHN CC[C@H]1CCCCN1CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000015256485 563780757 /nfs/dbraw/zinc/78/07/57/563780757.db2.gz KCCXMAVTDNUQDR-SFHVURJKSA-N 0 3 331.504 4.124 50 0 EIAAHN COc1cc(OC)c(OC)cc1CNc1cc(C)nc2ccccc21 ZINC000032902983 563789959 /nfs/dbraw/zinc/78/99/59/563789959.db2.gz UJDFDMPILVKMLH-UHFFFAOYSA-N 0 3 338.407 4.181 50 0 EIAAHN O[C@H](CNCc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000016480406 563812780 /nfs/dbraw/zinc/81/27/80/563812780.db2.gz PJFCCGOBCVOMPV-JOCHJYFZSA-N 0 3 333.431 4.089 50 0 EIAAHN CCN1CCC(NC(=O)c2sc3cc(C)ccc3c2Cl)CC1 ZINC000016602982 563816400 /nfs/dbraw/zinc/81/64/00/563816400.db2.gz DBZJBQAPROCXHG-UHFFFAOYSA-N 0 3 336.888 4.077 50 0 EIAAHN O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cccc2ccccc21 ZINC000028074342 563901394 /nfs/dbraw/zinc/90/13/94/563901394.db2.gz FWYDSGLISKZDDH-NRFANRHFSA-N 0 3 330.431 4.443 50 0 EIAAHN Clc1ccccc1-c1ccc(CNCCOc2ccccn2)o1 ZINC000057354904 563935572 /nfs/dbraw/zinc/93/55/72/563935572.db2.gz MVBGCEFRKWZYQG-UHFFFAOYSA-N 0 3 328.799 4.164 50 0 EIAAHN C[C@@H]1CCCC[C@H]1OCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000058345004 563943233 /nfs/dbraw/zinc/94/32/33/563943233.db2.gz UJBUNJBNRVMAAW-ZIFCJYIRSA-N 0 3 337.529 4.324 50 0 EIAAHN Cc1cc(-n2nc(C3CC3)nc2-c2cnc3ccccc3c2)ccn1 ZINC000065385380 563959139 /nfs/dbraw/zinc/95/91/39/563959139.db2.gz IGKOXAYPYHSNTJ-UHFFFAOYSA-N 0 3 327.391 4.063 50 0 EIAAHN C[C@H](c1ccc(-c2nccn2-c2ccc3nccnc3c2)cc1)N(C)C ZINC000071755205 563965279 /nfs/dbraw/zinc/96/52/79/563965279.db2.gz LIFHMFQXRQLNBS-OAHLLOKOSA-N 0 3 343.434 4.105 50 0 EIAAHN Cc1ncc([C@H](C)N[C@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 ZINC000097016667 563966759 /nfs/dbraw/zinc/96/67/59/563966759.db2.gz LOSCESVVOJVBIJ-SGTLLEGYSA-N 0 3 347.409 4.423 50 0 EIAAHN CC(C)(C)[C@H](NC1CCN(CC(F)F)CC1)c1ccc(F)cc1F ZINC000097017304 563966798 /nfs/dbraw/zinc/96/67/98/563966798.db2.gz YYYDTODYKOXIQK-QGZVFWFLSA-N 0 3 346.412 4.371 50 0 EIAAHN CCOc1ccc([C@@H]2NCCc3cc(OCC)c(OCC)cc32)cc1 ZINC000000034503 563967810 /nfs/dbraw/zinc/96/78/10/563967810.db2.gz BITGIXSXFHMOBA-NRFANRHFSA-N 0 3 341.451 4.118 50 0 biogenic EIAAHN Cc1ncsc1CCN[C@H](C)c1ccccc1Br ZINC000097032978 563971203 /nfs/dbraw/zinc/97/12/03/563971203.db2.gz UPYRDHOPKFVKSS-SNVBAGLBSA-N 0 3 325.275 4.107 50 0 EIAAHN CN(C)[C@H]1CCCCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1 ZINC000082139238 563972678 /nfs/dbraw/zinc/97/26/78/563972678.db2.gz WQKZMFHSQCFWPA-FQEVSTJZSA-N 0 3 340.442 4.049 50 0 EIAAHN Cc1nn(Cc2ccccc2)c(Cl)c1CNCCc1ccccc1 ZINC000061002742 563992270 /nfs/dbraw/zinc/99/22/70/563992270.db2.gz WHBVYMASLNFQOQ-UHFFFAOYSA-N 0 3 339.870 4.226 50 0 EIAAHN O=C(CCN1CCC[C@H]1c1ccsc1)Nc1ccc2c(c1)CCC2 ZINC000048263559 564030342 /nfs/dbraw/zinc/03/03/42/564030342.db2.gz WIXAJBQJHPVRTD-IBGZPJMESA-N 0 3 340.492 4.403 50 0 EIAAHN CNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000248141396 564053016 /nfs/dbraw/zinc/05/30/16/564053016.db2.gz UHQLTNWLWIUUCD-UHFFFAOYSA-N 0 3 347.249 4.020 50 0 EIAAHN CC(C)(C)NCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248229202 564053067 /nfs/dbraw/zinc/05/30/67/564053067.db2.gz KFTQEYIJSDJTTR-UHFFFAOYSA-N 0 3 338.430 4.021 50 0 EIAAHN CC(C)(C)NCc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248256615 564053102 /nfs/dbraw/zinc/05/31/02/564053102.db2.gz UVOSTSHSVAUMSY-UHFFFAOYSA-N 0 3 338.430 4.021 50 0 EIAAHN C[C@@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000005954495 564057290 /nfs/dbraw/zinc/05/72/90/564057290.db2.gz FVGFBPCNUYQRDN-GCJKJVERSA-N 0 3 347.458 4.444 50 0 EIAAHN CCN(c1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1)C(C)C ZINC000012555693 564059327 /nfs/dbraw/zinc/05/93/27/564059327.db2.gz YGXBLMWCBGGNJB-UHFFFAOYSA-N 0 3 339.483 4.235 50 0 EIAAHN Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1F ZINC000012677182 564062592 /nfs/dbraw/zinc/06/25/92/564062592.db2.gz XASDZBQTQPURDC-AUUYWEPGSA-N 0 3 326.415 4.202 50 0 EIAAHN O=C(Nc1cnc2ccccc2c1)c1ccc(CN2CCCCC2)cc1 ZINC000012754834 564067193 /nfs/dbraw/zinc/06/71/93/564067193.db2.gz RRFPNSRRLDUASZ-UHFFFAOYSA-N 0 3 345.446 4.473 50 0 EIAAHN CCN(CC)[C@H](CNC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000012779497 564069786 /nfs/dbraw/zinc/06/97/86/564069786.db2.gz OMOSVTPCIKDKSI-GOSISDBHSA-N 0 3 348.849 4.292 50 0 EIAAHN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1csc2ccccc21 ZINC000085313456 564072656 /nfs/dbraw/zinc/07/26/56/564072656.db2.gz GIJUIGHJKVNOFQ-MCMMXHMISA-N 0 3 329.490 4.490 50 0 EIAAHN CN(C)CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000063829510 564079613 /nfs/dbraw/zinc/07/96/13/564079613.db2.gz KHOYUYUWZDGVTD-UHFFFAOYSA-N 0 3 342.508 4.225 50 0 EIAAHN c1nc(-c2cnccn2)sc1CN[C@H](c1ccccc1)C1CCC1 ZINC000088701893 564079727 /nfs/dbraw/zinc/07/97/27/564079727.db2.gz WQKHEHUCANKAQF-GOSISDBHSA-N 0 3 336.464 4.231 50 0 EIAAHN Cc1ccccc1C(=O)NC[C@H](c1csc2ccccc21)N(C)C ZINC000575621078 564083960 /nfs/dbraw/zinc/08/39/60/564083960.db2.gz NMCNBGXNTDSPAO-GOSISDBHSA-N 0 3 338.476 4.242 50 0 EIAAHN CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc2ncccc2c1 ZINC000075584155 564089680 /nfs/dbraw/zinc/08/96/80/564089680.db2.gz UGONRJAKCQVJCX-LJQANCHMSA-N 0 3 334.467 4.354 50 0 EIAAHN Cc1ccc(N2C(=N)SC(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000036635940 564104012 /nfs/dbraw/zinc/10/40/12/564104012.db2.gz NXAMGLMRYGHIKV-HNNXBMFYSA-N 0 3 330.840 4.274 50 0 EIAAHN Cc1cccc(OC2CCN(C3CC(c4ccccc4F)C3)CC2)n1 ZINC000170595430 564109062 /nfs/dbraw/zinc/10/90/62/564109062.db2.gz ZSOGXRQHRBODAL-UHFFFAOYSA-N 0 3 340.442 4.319 50 0 EIAAHN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000170601624 564109333 /nfs/dbraw/zinc/10/93/33/564109333.db2.gz AZNDSWXVZQQKBH-OXJNMPFZSA-N 0 3 346.434 4.247 50 0 EIAAHN CCOC(=O)c1c(CN(C)[C@@H]2CCC[C@@H]2SC)oc2ccccc21 ZINC000076089746 564115618 /nfs/dbraw/zinc/11/56/18/564115618.db2.gz HCEUSORQMVIKQK-PBHICJAKSA-N 0 3 347.480 4.325 50 0 EIAAHN CCO[C@@H]1C[C@H](NCc2ccc(CSC(F)F)o2)C12CCC2 ZINC000236890795 564117699 /nfs/dbraw/zinc/11/76/99/564117699.db2.gz YWMPIMYNRMSNPP-UONOGXRCSA-N 0 3 331.428 4.173 50 0 EIAAHN C[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237645635 564117761 /nfs/dbraw/zinc/11/77/61/564117761.db2.gz TWCYVCOKCSXSIR-MEDUHNTESA-N 0 3 337.250 4.261 50 0 EIAAHN CN(C)CCO[C@@H](c1ccccc1)c1ccccc1Br ZINC000096026459 564144903 /nfs/dbraw/zinc/14/49/03/564144903.db2.gz DCMSLAQPTQXLDH-KRWDZBQOSA-N 0 3 334.257 4.117 50 0 EIAAHN COc1cccc2cc([C@H](C)N[C@H](C)Cc3c(C)noc3C)oc21 ZINC000096493401 564148745 /nfs/dbraw/zinc/14/87/45/564148745.db2.gz RMBHCHRJRQYDGM-YPMHNXCESA-N 0 3 328.412 4.328 50 0 EIAAHN C[C@@H]1C[C@@H](C)CN([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000058012650 564157217 /nfs/dbraw/zinc/15/72/17/564157217.db2.gz VXGAVIRQFRIIMO-HLIPFELVSA-N 0 3 328.500 4.155 50 0 EIAAHN Cc1c2ccccc2sc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000058151196 564157833 /nfs/dbraw/zinc/15/78/33/564157833.db2.gz CWWDPHPGOKEQSE-UHFFFAOYSA-N 0 3 338.476 4.418 50 0 EIAAHN Cc1ccc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)co2)c(C)c1 ZINC000058208463 564158079 /nfs/dbraw/zinc/15/80/79/564158079.db2.gz CRJSOMKJWGNESX-UHFFFAOYSA-N 0 3 336.439 4.061 50 0 EIAAHN CC1(C)C[C@@H](N[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 ZINC000032124141 564160930 /nfs/dbraw/zinc/16/09/30/564160930.db2.gz UNXPLMJNVBBABN-PXNSSMCTSA-N 0 3 339.435 4.052 50 0 biogenic EIAAHN CCC(C)(C)N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000008132464 564163015 /nfs/dbraw/zinc/16/30/15/564163015.db2.gz KDJQXSULVABSQQ-LJQANCHMSA-N 0 3 340.467 4.462 50 0 EIAAHN C[C@@H](CC(=O)Nc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000008728524 564167031 /nfs/dbraw/zinc/16/70/31/564167031.db2.gz CMXRZRFRIQCFQP-WMLDXEAASA-N 0 3 326.465 4.230 50 0 EIAAHN 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CCCCCCOc1ccc(CN2CCC[C@H](C(=O)OCC)C2)cc1 ZINC000004988007 210351478 /nfs/dbraw/zinc/35/14/78/210351478.db2.gz BDDGVQWUFQGKSV-IBGZPJMESA-N 0 3 347.499 4.421 50 0 EIAAHN C[C@H]1C[C@H](C)CN(CCOc2ccc(Br)cc2Cl)C1 ZINC000004914037 210320897 /nfs/dbraw/zinc/32/08/97/210320897.db2.gz UHCPLTZEQRQLPP-RYUDHWBXSA-N 0 3 346.696 4.459 50 0 EIAAHN CC(C)c1cc(CN(C)Cc2cc(CN3CCCC3)cs2)no1 ZINC000097370275 219015903 /nfs/dbraw/zinc/01/59/03/219015903.db2.gz MKFFNKYIVGDRFM-UHFFFAOYSA-N 0 3 333.501 4.087 50 0 EIAAHN O=C(CCN1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000073766 258047543 /nfs/dbraw/zinc/04/75/43/258047543.db2.gz VVSLUBIQMFSLRU-UHFFFAOYSA-N 0 3 349.887 4.278 50 0 EIAAHN COc1ccc([C@H](OC)[C@H](C)NCc2cnc(C(C)(C)C)s2)cc1 ZINC000095459056 258067192 /nfs/dbraw/zinc/06/71/92/258067192.db2.gz KNTBNDQNQAETKB-SUMWQHHRSA-N 0 3 348.512 4.315 50 0 EIAAHN C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 ZINC000057369635 132200179 /nfs/dbraw/zinc/20/01/79/132200179.db2.gz GSANSHMHDXCJMM-UZLBHIALSA-N 0 3 334.463 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/nfs/dbraw/zinc/96/42/88/563964288.db2.gz VRMCLMTWLFQGGD-HNNXBMFYSA-N 0 3 337.389 4.273 50 0 EIAAHN COc1ccc(O)cc1CN1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071736536 563964931 /nfs/dbraw/zinc/96/49/31/563964931.db2.gz KSKJWNDJMPZQIC-KRWDZBQOSA-N 0 3 343.442 4.385 50 0 EIAAHN C[C@H](c1nccn1C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000071751355 563965144 /nfs/dbraw/zinc/96/51/44/563965144.db2.gz RBEJIRJUAVBVPO-SFHVURJKSA-N 0 3 346.478 4.267 50 0 EIAAHN CCc1nccc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)n1 ZINC000071758809 563965310 /nfs/dbraw/zinc/96/53/10/563965310.db2.gz COSSIWMQLOQEEY-OAHLLOKOSA-N 0 3 345.437 4.162 50 0 EIAAHN COc1cc2c(cc1OC)[C@@H](c1ccc(C(C)(C)C)cc1)NCC2 ZINC000000034460 563967840 /nfs/dbraw/zinc/96/78/40/563967840.db2.gz CSOOWMINZBTBLR-HXUWFJFHSA-N 0 3 325.452 4.236 50 0 biogenic EIAAHN Cc1ccsc1-c1nccn1C[C@H](c1ccco1)N1CCCC1 ZINC000077358436 563969184 /nfs/dbraw/zinc/96/91/84/563969184.db2.gz KOPOGCJMZSVBEN-OAHLLOKOSA-N 0 3 327.453 4.350 50 0 EIAAHN Cc1nccn1CC[C@@H]1CCCCN1C/C=C/c1ccc(F)cc1 ZINC000077379502 563969261 /nfs/dbraw/zinc/96/92/61/563969261.db2.gz MZHHWXOABWIAHW-SGSXCFNPSA-N 0 3 327.447 4.289 50 0 EIAAHN c1cn(CC2CC2)c([C@@H]2CCCN(c3ccnc4ccccc43)C2)n1 ZINC000082099866 563972280 /nfs/dbraw/zinc/97/22/80/563972280.db2.gz MSYSQNVXCJKLRE-QGZVFWFLSA-N 0 3 332.451 4.225 50 0 EIAAHN Cc1cc(C)c(CN2CCC3(CC2)Nc2ccccc2NC3=O)cc1C ZINC000082139173 563972676 /nfs/dbraw/zinc/97/26/76/563972676.db2.gz NKKLNMIFSFFUQV-UHFFFAOYSA-N 0 3 349.478 4.011 50 0 EIAAHN C[C@@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000300533 563990836 /nfs/dbraw/zinc/99/08/36/563990836.db2.gz XCNCPQPAEDAPFL-DYESRHJHSA-N 0 3 336.479 4.176 50 0 EIAAHN Cc1sc(NC(=O)c2ccc(F)cc2)c(CN2CCCC2)c1C ZINC000000387208 563993558 /nfs/dbraw/zinc/99/35/58/563993558.db2.gz VFOXKDZDMIBSDF-UHFFFAOYSA-N 0 3 332.444 4.352 50 0 EIAAHN O[C@@H](CN(Cc1cccs1)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000048252598 564030466 /nfs/dbraw/zinc/03/04/66/564030466.db2.gz AJBZTCLRXUIIOQ-INIZCTEOSA-N 0 3 341.398 4.465 50 0 EIAAHN O=C(NCCC1=CCCCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000048274520 564030578 /nfs/dbraw/zinc/03/05/78/564030578.db2.gz MAKCTTXFVIULRW-IBGZPJMESA-N 0 3 344.474 4.044 50 0 EIAAHN O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000048343450 564031279 /nfs/dbraw/zinc/03/12/79/564031279.db2.gz BZNGDXZXBNJRSF-HNNXBMFYSA-N 0 3 346.833 4.330 50 0 EIAAHN Cc1cccc(Cn2nc(CNC3CCCC3)c(-c3ccccc3)n2)c1 ZINC000247897819 564052817 /nfs/dbraw/zinc/05/28/17/564052817.db2.gz HRHUNEPEOLFBPA-UHFFFAOYSA-N 0 3 346.478 4.334 50 0 EIAAHN CC[C@H](C)NCc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248070487 564052928 /nfs/dbraw/zinc/05/29/28/564052928.db2.gz GBUCTTRBTMQHMR-KRWDZBQOSA-N 0 3 334.467 4.190 50 0 EIAAHN C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCCC1 ZINC000003211391 564058514 /nfs/dbraw/zinc/05/85/14/564058514.db2.gz ZFIGNLOEBSAXKI-CXAGYDPISA-N 0 3 348.899 4.357 50 0 EIAAHN CCN(CC)CCOC(=O)[C@@](C)(c1ccccc1)C1CCCCC1 ZINC000003609601 564060040 /nfs/dbraw/zinc/06/00/40/564060040.db2.gz KFFUMWAFMBSHHP-NRFANRHFSA-N 0 3 331.500 4.410 50 0 EIAAHN CCOc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1 ZINC000005410588 564060958 /nfs/dbraw/zinc/06/09/58/564060958.db2.gz AIMKSSCHKNLLJG-UHFFFAOYSA-N 0 3 343.496 4.120 50 0 EIAAHN Cc1cc(-c2ccc(C(=O)N(C)C[C@H]3CCCCN3C)cc2)cs1 ZINC000534585908 564061158 /nfs/dbraw/zinc/06/11/58/564061158.db2.gz ZUWGRYAEOREWEQ-LJQANCHMSA-N 0 3 342.508 4.280 50 0 EIAAHN Cc1cccc(C)c1OC[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000084225445 564067451 /nfs/dbraw/zinc/06/74/51/564067451.db2.gz AVTOQKCDIIRURG-VQTJNVASSA-N 0 3 343.442 4.019 50 0 EIAAHN Cc1ccc2nc(C)c(C(=O)N(CCN(C)C)c3ccccc3)cc2c1 ZINC000063829344 564079593 /nfs/dbraw/zinc/07/95/93/564079593.db2.gz ABEPECAXSXDZLF-UHFFFAOYSA-N 0 3 347.462 4.060 50 0 EIAAHN Fc1cc(CNCCc2nc(-c3ccncc3)cs2)ccc1Cl ZINC000076020659 564114582 /nfs/dbraw/zinc/11/45/82/564114582.db2.gz HCMMXXJBFJAQES-UHFFFAOYSA-N 0 3 347.846 4.330 50 0 EIAAHN C[C@H](Oc1ccccc1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000027143431 564117939 /nfs/dbraw/zinc/11/79/39/564117939.db2.gz DMDBBFSSKQNPTL-KRWDZBQOSA-N 0 3 338.451 4.079 50 0 EIAAHN NCc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000252507323 564119948 /nfs/dbraw/zinc/11/99/48/564119948.db2.gz WHDIPNHIOLAPQR-UHFFFAOYSA-N 0 3 343.839 4.175 50 0 EIAAHN Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(C2OCCO2)cc1 ZINC000095967974 564143112 /nfs/dbraw/zinc/14/31/12/564143112.db2.gz UUVHILTUIKMJJT-ZDUSSCGKSA-N 0 3 346.496 4.471 50 0 EIAAHN CCCCSc1ccccc1N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000096026568 564144959 /nfs/dbraw/zinc/14/49/59/564144959.db2.gz IRNIUSIEMBTWJH-IEBWSBKVSA-N 0 3 348.556 4.004 50 0 EIAAHN CCC[C@](O)(c1ccc(OC)cc1)[C@H](CN(C)C)c1ccccc1 ZINC000002922732 564153093 /nfs/dbraw/zinc/15/30/93/564153093.db2.gz AVOHPWHGCOAMEF-RTWAWAEBSA-N 0 3 327.468 4.028 50 0 EIAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1c1ccccc1 ZINC000057153807 564153324 /nfs/dbraw/zinc/15/33/24/564153324.db2.gz YJZKQOYMBHATCO-QFIPXVFZSA-N 0 3 348.490 4.262 50 0 EIAAHN Cc1c([O-])ccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc12 ZINC000057536126 564154876 /nfs/dbraw/zinc/15/48/76/564154876.db2.gz ALNZQUPDMFFBHN-SFHVURJKSA-N 0 3 335.403 4.144 50 0 EIAAHN Cc1c([O-])ccc2c(C[N@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc12 ZINC000057536126 564154877 /nfs/dbraw/zinc/15/48/77/564154877.db2.gz ALNZQUPDMFFBHN-SFHVURJKSA-N 0 3 335.403 4.144 50 0 EIAAHN C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003215693 564156073 /nfs/dbraw/zinc/15/60/73/564156073.db2.gz WMBXQZYSDAJXAQ-GUYCJALGSA-N 0 3 348.899 4.357 50 0 EIAAHN CCOc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000008003743 564162051 /nfs/dbraw/zinc/16/20/51/564162051.db2.gz KRUKICWJTOVQJQ-FQEVSTJZSA-N 0 3 344.430 4.150 50 0 EIAAHN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(C)CC1 ZINC000008312719 564164215 /nfs/dbraw/zinc/16/42/15/564164215.db2.gz HGMXXNKEKYBTSA-SFHVURJKSA-N 0 3 336.479 4.013 50 0 EIAAHN COc1cc(OC)c2[n-]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717258 564166727 /nfs/dbraw/zinc/16/67/27/564166727.db2.gz HXOIINJOYIRQJR-UHFFFAOYSA-N 0 3 344.455 4.031 50 0 EIAAHN COc1cc(OC)c2[n-]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717258 564166728 /nfs/dbraw/zinc/16/67/28/564166728.db2.gz HXOIINJOYIRQJR-UHFFFAOYSA-N 0 3 344.455 4.031 50 0 EIAAHN CC[C@H]1CCCC[N@@H+]1Cc1c(C)[n-]c2c(OC)ccc(OC)c2c1=O ZINC000008717352 564166736 /nfs/dbraw/zinc/16/67/36/564166736.db2.gz SQRGGYCQLWZVPR-AWEZNQCLSA-N 0 3 344.455 4.031 50 0 EIAAHN CC[C@H]1CCCC[N@H+]1Cc1c(C)[n-]c2c(OC)ccc(OC)c2c1=O ZINC000008717352 564166737 /nfs/dbraw/zinc/16/67/37/564166737.db2.gz SQRGGYCQLWZVPR-AWEZNQCLSA-N 0 3 344.455 4.031 50 0 EIAAHN COc1ccc(OCCCCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000008742755 564167177 /nfs/dbraw/zinc/16/71/77/564167177.db2.gz UFWYUIILNHQFIM-NRFANRHFSA-N 0 3 340.467 4.476 50 0 biogenic EIAAHN C(=C/c1ccc(OCCN2CCCC2)cc1)\c1nc2ccccc2o1 ZINC000071802735 564175490 /nfs/dbraw/zinc/17/54/90/564175490.db2.gz AREREGONGZYYCW-FMIVXFBMSA-N 0 3 334.419 4.473 50 0 EIAAHN Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCSc3ccccc32)o1 ZINC000042956909 564176026 /nfs/dbraw/zinc/17/60/26/564176026.db2.gz IZEXMNCFHXTVTH-OAHLLOKOSA-N 0 3 325.437 4.305 50 0 EIAAHN CN(C)C[C@H](NC(=O)/C=C\c1cccc2ccccc12)c1ccccc1 ZINC000098004020 1023194040 /nfs/dbraw/zinc/19/40/40/1023194040.db2.gz GLSARPJENNLTOL-SRNWCRMJSA-N 0 3 344.458 4.272 50 0 EIAAHN C[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1ccc(-n2ccnn2)cc1 ZINC000657933273 1030629186 /nfs/dbraw/zinc/62/91/86/1030629186.db2.gz QILVBNFPFCEJQT-OLZOCXBDSA-N 0 3 343.381 4.012 50 0 EIAAHN Cc1ccccc1-n1cc(CN2CCC(c3cccc(O)c3)CC2)cn1 ZINC000828925234 1045001736 /nfs/dbraw/zinc/00/17/36/1045001736.db2.gz MKBVPQJVKZMOTG-UHFFFAOYSA-N 0 3 347.462 4.266 50 0 EIAAHN C[C@@H]1c2cccn2CCN1Cc1cc(CN2CCCCC2)cs1 ZINC000952871749 1049679858 /nfs/dbraw/zinc/67/98/58/1049679858.db2.gz DDJPBZHCQBIOQC-MRXNPFEDSA-N 0 3 329.513 4.112 50 0 EIAAHN CCCO[C@H]1CCCN(Cc2cc(F)ccc2-n2nc(C)cc2C)C1 ZINC000952969591 1049683433 /nfs/dbraw/zinc/68/34/33/1049683433.db2.gz BWEXAPGIWSZVGN-IBGZPJMESA-N 0 3 345.462 4.019 50 0 EIAAHN CCCN(Cc1ccc(SC)cc1)Cc1cccc(OCCO)c1 ZINC000055035940 214265844 /nfs/dbraw/zinc/26/58/44/214265844.db2.gz UFOQSSXRDVIEAK-UHFFFAOYSA-N 0 3 345.508 4.192 50 0 EIAAHN CC[C@@H](CO)N(Cc1cccs1)Cc1cnc2ccccc2c1 ZINC000055309934 214304919 /nfs/dbraw/zinc/30/49/19/214304919.db2.gz JWLQLZZCRVHAKZ-KRWDZBQOSA-N 0 3 326.465 4.069 50 0 EIAAHN CCc1nc(C)c([C@H](C)NCc2ccc(-n3cccn3)cc2)s1 ZINC000178089608 529729776 /nfs/dbraw/zinc/72/97/76/529729776.db2.gz YDZQZOMMEFMCHJ-ZDUSSCGKSA-N 0 3 326.469 4.050 50 0 EIAAHN O[C@H](CNCc1ccc(Cl)c(Cl)c1)Cn1ccc2ccccc21 ZINC000004307255 210166076 /nfs/dbraw/zinc/16/60/76/210166076.db2.gz VNALUZQJUWTCND-OAHLLOKOSA-N 0 3 349.261 4.099 50 0 EIAAHN CC[C@H](O)CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067691144 215185520 /nfs/dbraw/zinc/18/55/20/215185520.db2.gz BXGINNRSQKCSJM-IBGZPJMESA-N 0 3 348.446 4.138 50 0 EIAAHN Cn1cc(CCCN2CCc3sccc3[C@H]2c2cccs2)cn1 ZINC000040151484 213272858 /nfs/dbraw/zinc/27/28/58/213272858.db2.gz VZJKLSMYFVYJSU-SFHVURJKSA-N 0 3 343.521 4.123 50 0 EIAAHN COc1cc(CN[C@H](c2ccccc2)C(C)C)cc(OC)c1OC ZINC000039985615 213249386 /nfs/dbraw/zinc/24/93/86/213249386.db2.gz DXISTWNMQMYDLA-IBGZPJMESA-N 0 3 329.440 4.199 50 0 EIAAHN c1ccc2c(c1)cccc2-c1noc2c1CN([C@H]1CCSC1)CC2 ZINC000039430134 213236847 /nfs/dbraw/zinc/23/68/47/213236847.db2.gz FQBDLOSOFXLXBC-HNNXBMFYSA-N 0 3 336.460 4.358 50 0 EIAAHN CN(C)[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000072111956 216010403 /nfs/dbraw/zinc/01/04/03/216010403.db2.gz ZGMBBQLRRAZKBR-AWEZNQCLSA-N 0 3 343.780 4.469 50 0 EIAAHN Cc1cccc([C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)c1 ZINC000072412015 216204270 /nfs/dbraw/zinc/20/42/70/216204270.db2.gz RHIJEFZXNNXKET-IBGZPJMESA-N 0 3 333.435 4.425 50 0 EIAAHN COc1cccc([C@H]2CCCN2Cc2cccc(Cn3cccn3)c2)c1 ZINC000072422757 216212165 /nfs/dbraw/zinc/21/21/65/216212165.db2.gz NESKCLXIDZJXQF-JOCHJYFZSA-N 0 3 347.462 4.277 50 0 EIAAHN O=C(Cc1ccccc1)[C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000072447791 216237155 /nfs/dbraw/zinc/23/71/55/216237155.db2.gz UEQXIIHLXOAPPX-HXUWFJFHSA-N 0 3 332.447 4.192 50 0 EIAAHN COc1cccc2ccc(CN3CC[C@H](c4ccccc4F)C3)nc21 ZINC000072480057 216260186 /nfs/dbraw/zinc/26/01/86/216260186.db2.gz WSJPQTQNOUHHNR-INIZCTEOSA-N 0 3 336.410 4.372 50 0 EIAAHN CCc1ccc([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072670752 216289973 /nfs/dbraw/zinc/28/99/73/216289973.db2.gz PVDNCRYXAUTKIA-AWEZNQCLSA-N 0 3 329.440 4.126 50 0 EIAAHN CCc1ccc([C@@H](CNC(=O)[C@H](CC)c2ccccc2)N(C)C)cc1 ZINC000022684805 212316432 /nfs/dbraw/zinc/31/64/32/212316432.db2.gz YQOMTSRWUYFXTA-NHCUHLMSSA-N 0 3 338.495 4.162 50 0 EIAAHN CN(C)CCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022075211 212276391 /nfs/dbraw/zinc/27/63/91/212276391.db2.gz GFTUKHURUNUQDO-UHFFFAOYSA-N 0 3 334.463 4.070 50 0 EIAAHN CCCO[C@H]1CCCN(Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000020992809 212194890 /nfs/dbraw/zinc/19/48/90/212194890.db2.gz WLZGUDQGGDIPGB-KRWDZBQOSA-N 0 3 339.439 4.214 50 0 EIAAHN Cc1c([C@H](C)NCc2ccc(NC(=O)C(C)C)cc2)cnn1C(C)C ZINC000242339176 243019629 /nfs/dbraw/zinc/01/96/29/243019629.db2.gz ZFNRVWNVGYUOSA-HNNXBMFYSA-N 0 3 342.487 4.218 50 0 EIAAHN CCN1CCN(CCCCOc2c(Cl)ccc3ccccc32)CC1 ZINC000020406264 212125915 /nfs/dbraw/zinc/12/59/15/212125915.db2.gz RHDHFKCOMRFDCE-UHFFFAOYSA-N 0 3 346.902 4.290 50 0 EIAAHN CCC1(CC)Cc2cc(OC)c(OC)cc2[C@H](c2ccccc2)N1 ZINC000019205344 212004667 /nfs/dbraw/zinc/00/46/67/212004667.db2.gz OCNMIKHELOBPHD-FQEVSTJZSA-N 0 3 325.452 4.498 50 0 biogenic EIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cccc(Cl)c1 ZINC000012987363 211501804 /nfs/dbraw/zinc/50/18/04/211501804.db2.gz SNSXTQMXXLHJJI-GOSISDBHSA-N 0 3 343.858 4.299 50 0 EIAAHN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCC2)c(C(C)(C)C)c1 ZINC000012421490 211376960 /nfs/dbraw/zinc/37/69/60/211376960.db2.gz TUMCWCZQZXIOFD-KRWDZBQOSA-N 0 3 333.516 4.117 50 0 EIAAHN C[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CC[C@@]1(O)C1CC1 ZINC000091587206 218027357 /nfs/dbraw/zinc/02/73/57/218027357.db2.gz XZFXHCFWSPKYRG-VGSWGCGISA-N 0 3 337.463 4.462 50 0 EIAAHN COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000010351353 211167061 /nfs/dbraw/zinc/16/70/61/211167061.db2.gz XWHIIZYNRPQHRQ-FOIQADDNSA-N 0 3 338.451 4.072 50 0 EIAAHN C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1 ZINC000095420350 218360884 /nfs/dbraw/zinc/36/08/84/218360884.db2.gz LBNNGXYOAXEMNQ-MRXNPFEDSA-N 0 3 328.419 4.271 50 0 EIAAHN C[C@@H](NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)c1cnccn1 ZINC000095420753 218361914 /nfs/dbraw/zinc/36/19/14/218361914.db2.gz SOALOQDCJYUZLI-MRXNPFEDSA-N 0 3 338.499 4.094 50 0 EIAAHN CC[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccs1 ZINC000095420840 218362394 /nfs/dbraw/zinc/36/23/94/218362394.db2.gz IDPAVSGUUHVFCG-IRXDYDNUSA-N 0 3 344.480 4.107 50 0 EIAAHN O=C(Nc1ccc(CN[C@@H]2CCc3ccccc32)cc1)c1ccncc1 ZINC000095421443 218362578 /nfs/dbraw/zinc/36/25/78/218362578.db2.gz QBPHPQLFAKQNSR-OAQYLSRUSA-N 0 3 343.430 4.111 50 0 EIAAHN CCC(CC)n1ccc(C(=O)Nc2ccccc2CN2CCCC2)n1 ZINC000095428584 218370831 /nfs/dbraw/zinc/37/08/31/218370831.db2.gz KVUXZLHJPOJJFC-UHFFFAOYSA-N 0 3 340.471 4.092 50 0 EIAAHN Cc1cc(C)n2c(CN[C@H](c3cccnc3)C3CCCCC3)cnc2n1 ZINC000095430369 218372565 /nfs/dbraw/zinc/37/25/65/218372565.db2.gz CCNQTUSUCHFIJJ-FQEVSTJZSA-N 0 3 349.482 4.152 50 0 EIAAHN Cc1c(Cl)cccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000004748885 210268807 /nfs/dbraw/zinc/26/88/07/210268807.db2.gz WZBIBCPXHOHVLA-UHFFFAOYSA-N 0 3 335.879 4.131 50 0 EIAAHN CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 ZINC000000057198 518414717 /nfs/dbraw/zinc/41/47/17/518414717.db2.gz NOSIYYJFMPDDSA-UHFFFAOYSA-N 0 3 326.465 4.444 50 0 world EIAAHN CCOC(=O)C1CCN(CCCSc2ccc(Cl)cc2)CC1 ZINC000006704071 563581316 /nfs/dbraw/zinc/58/13/16/563581316.db2.gz KMHCWJDROUBKMS-UHFFFAOYSA-N 0 3 341.904 4.097 50 0 EIAAHN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000000239067 563264559 /nfs/dbraw/zinc/26/45/59/563264559.db2.gz NKZHGVWUFZATPU-UHFFFAOYSA-N 0 3 348.490 4.444 50 0 EIAAHN CN1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1 ZINC000000347398 563287982 /nfs/dbraw/zinc/28/79/82/563287982.db2.gz BVHKZXBRUYQOSI-UHFFFAOYSA-N 0 3 329.490 4.394 50 0 EIAAHN FC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000004980521 563516535 /nfs/dbraw/zinc/51/65/35/563516535.db2.gz SQJJIPWVYJPFNA-UHFFFAOYSA-N 0 3 334.385 4.070 50 0 EIAAHN OCC1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2F)CC1 ZINC000012596323 563664972 /nfs/dbraw/zinc/66/49/72/563664972.db2.gz OMXJHCQYXHDREU-UHFFFAOYSA-N 0 3 347.861 4.296 50 0 EIAAHN CCCCOCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000013692098 563712533 /nfs/dbraw/zinc/71/25/33/563712533.db2.gz VSGPSWBNWMMAAD-INIZCTEOSA-N 0 3 331.456 4.296 50 0 EIAAHN Fc1ccc(-c2ccc(CNC[C@H]3COc4ccccc4O3)o2)cc1 ZINC000032740379 563721068 /nfs/dbraw/zinc/72/10/68/563721068.db2.gz WPFALZCPSHKESS-KRWDZBQOSA-N 0 3 339.366 4.015 50 0 EIAAHN CC(C)=CCC[C@H](C)CN1CCc2nnc(-c3ccccc3)n2CC1 ZINC000015005083 563771454 /nfs/dbraw/zinc/77/14/54/563771454.db2.gz GZNUXWUPCHSEKC-SFHVURJKSA-N 0 3 338.499 4.186 50 0 EIAAHN CC[C@@H]1CCCCN1CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000015256482 563780647 /nfs/dbraw/zinc/78/06/47/563780647.db2.gz KCCXMAVTDNUQDR-GOSISDBHSA-N 0 3 331.504 4.124 50 0 EIAAHN O[C@H](CNCc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000016480769 563812855 /nfs/dbraw/zinc/81/28/55/563812855.db2.gz UEBYIZYUEFMKCG-OAQYLSRUSA-N 0 3 333.431 4.089 50 0 EIAAHN CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)N(C)C ZINC000024975643 563878954 /nfs/dbraw/zinc/87/89/54/563878954.db2.gz YNDQGUFZCXJSDM-GFCCVEGCSA-N 0 3 332.275 4.091 50 0 EIAAHN Fc1ccc(-c2noc(CN3CCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000025358827 563883781 /nfs/dbraw/zinc/88/37/81/563883781.db2.gz IPWSEECHASZGCW-SFHVURJKSA-N 0 3 337.398 4.083 50 0 EIAAHN Fc1ccccc1-c1ccc(CNC[C@@H]2COc3ccccc3O2)o1 ZINC000026305195 563890859 /nfs/dbraw/zinc/89/08/59/563890859.db2.gz RVNZBNCTDVTDCG-OAHLLOKOSA-N 0 3 339.366 4.015 50 0 EIAAHN COc1ccccc1[C@H](C)N(C)CCC(=O)Nc1ccccc1Cl ZINC000026334717 563891152 /nfs/dbraw/zinc/89/11/52/563891152.db2.gz VSIBVZDRBWHSPF-AWEZNQCLSA-N 0 3 346.858 4.370 50 0 EIAAHN Fc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222580 563895040 /nfs/dbraw/zinc/89/50/40/563895040.db2.gz KMEOCVZWLYKPBM-HXUWFJFHSA-N 0 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/nfs/dbraw/zinc/48/05/20/210480520.db2.gz SLHFRHAKYLNUFK-UHFFFAOYSA-N 0 3 343.858 4.126 50 0 EIAAHN C/C(=C\c1ccccc1)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000005045784 210373620 /nfs/dbraw/zinc/37/36/20/210373620.db2.gz IQDMRNHAOGKQJW-AQRXXJNJSA-N 0 3 340.511 4.060 50 0 EIAAHN CCC(C)(C)[C@H]1CCCN1CC(=O)N1CCC[C@H]1c1cccs1 ZINC000241590517 258000751 /nfs/dbraw/zinc/00/07/51/258000751.db2.gz PFMBKFVQLFWOEE-DOTOQJQBSA-N 0 3 334.529 4.312 50 0 EIAAHN COc1ccccc1-c1ncc(CN(C)CCC[C@H]2CCCO2)s1 ZINC000299776622 258087212 /nfs/dbraw/zinc/08/72/12/258087212.db2.gz AWMBEHFKQHHYBC-HNNXBMFYSA-N 0 3 346.496 4.210 50 0 EIAAHN CN1CCCN(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2)CC1 ZINC000299760653 258077910 /nfs/dbraw/zinc/07/79/10/258077910.db2.gz IRMALAHPYGSJAK-UHFFFAOYSA-N 0 3 343.858 4.176 50 0 EIAAHN COc1cccc(N2CCN(Cc3ccc4ccccc4c3)CC2)c1 ZINC000055291881 132194285 /nfs/dbraw/zinc/19/42/85/132194285.db2.gz PHKGLPLDEZRZMW-UHFFFAOYSA-N 0 3 332.447 4.171 50 0 EIAAHN COCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008469187 563630751 /nfs/dbraw/zinc/63/07/51/563630751.db2.gz LMDFAEISQDALGC-UHFFFAOYSA-N 0 3 340.250 4.308 50 0 EIAAHN Cc1ccc(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)cc1Cl ZINC000242047883 564088458 /nfs/dbraw/zinc/08/84/58/564088458.db2.gz VQVMLUZYXASLIP-KGLIPLIRSA-N 0 3 339.936 4.198 50 0 EIAAHN CN(C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000000095 563211381 /nfs/dbraw/zinc/21/13/81/563211381.db2.gz NUNIWXHYABYXKF-QGZVFWFLSA-N 0 3 334.257 4.117 50 0 world EIAAHN Cc1ccc(C)c(N2CCN([C@@H](C)CCc3ccc(O)cc3)CC2)c1 ZINC000000280437 563271855 /nfs/dbraw/zinc/27/18/55/563271855.db2.gz CSKFLVUELGEZKB-IBGZPJMESA-N 0 3 338.495 4.152 50 0 EIAAHN C[C@@H]1CCC[C@H](N2CCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000000355273 563290796 /nfs/dbraw/zinc/29/07/96/563290796.db2.gz NHCIWPSEWAAMFH-MJGOQNOKSA-N 0 3 336.479 4.176 50 0 EIAAHN CSc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000071886846 563387682 /nfs/dbraw/zinc/38/76/82/563387682.db2.gz YHNJNZYTIXXAIT-UHFFFAOYSA-N 0 3 331.456 4.343 50 0 EIAAHN C[C@@H](O)CNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000005323452 563526879 /nfs/dbraw/zinc/52/68/79/563526879.db2.gz NJNLXENWMKKLLB-OAHLLOKOSA-N 0 3 339.410 4.028 50 0 EIAAHN CC(=O)c1ccc(N2CCN([C@H](C)CCc3ccccc3)CC2)cc1 ZINC000005394055 563531201 /nfs/dbraw/zinc/53/12/01/563531201.db2.gz FAUYGUPXHYXWDI-GOSISDBHSA-N 0 3 336.479 4.033 50 0 EIAAHN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CNC(C)(C)C ZINC000032652001 563676772 /nfs/dbraw/zinc/67/67/72/563676772.db2.gz GXMOPEOHGFAOLD-UHFFFAOYSA-N 0 3 330.472 4.002 50 0 EIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000012985947 563681930 /nfs/dbraw/zinc/68/19/30/563681930.db2.gz RQEOFDOXFRRFQL-UHFFFAOYSA-N 0 3 344.458 4.234 50 0 in-vivo EIAAHN CN(C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccccc1 ZINC000014182294 563747792 /nfs/dbraw/zinc/74/77/92/563747792.db2.gz SSSMOWIQSNNNDT-QFIPXVFZSA-N 0 3 344.458 4.386 50 0 EIAAHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024768753 563875524 /nfs/dbraw/zinc/87/55/24/563875524.db2.gz LGUTZHLVBDJJCR-UHFFFAOYSA-N 0 3 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563971221 /nfs/dbraw/zinc/97/12/21/563971221.db2.gz DUHKCAMTTOUQPZ-QVKFZJNVSA-N 0 3 339.435 4.026 50 0 EIAAHN Cc1cc2c(ncnc2N[C@H](C)[C@H](c2ccccc2)N(C)C)s1 ZINC000225533032 564047580 /nfs/dbraw/zinc/04/75/80/564047580.db2.gz GIMJXPDIWVJETJ-CZUORRHYSA-N 0 3 326.469 4.103 50 0 EIAAHN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000084028874 564065855 /nfs/dbraw/zinc/06/58/55/564065855.db2.gz HXUXXKJMGJXARX-UHFFFAOYSA-N 0 3 345.446 4.371 50 0 EIAAHN Fc1cc(CN2CCC[C@@H]2CCc2ccccc2)c2c(c1)COCO2 ZINC000084528473 564068556 /nfs/dbraw/zinc/06/85/56/564068556.db2.gz KUSKJPXJSPZFEA-HXUWFJFHSA-N 0 3 341.426 4.289 50 0 EIAAHN C[C@@H](NCCn1cnc2ccccc21)c1ccc(Br)cc1 ZINC000084651514 564069348 /nfs/dbraw/zinc/06/93/48/564069348.db2.gz SPNOQATXOBTOLG-CYBMUJFWSA-N 0 3 344.256 4.150 50 0 EIAAHN C[C@H](NCCn1cnc2ccccc21)c1ccc(Br)cc1 ZINC000084651513 564069350 /nfs/dbraw/zinc/06/93/50/564069350.db2.gz SPNOQATXOBTOLG-ZDUSSCGKSA-N 0 3 344.256 4.150 50 0 EIAAHN COc1cc2c(cc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F)O[C@H](C)C2 ZINC000084718062 564069813 /nfs/dbraw/zinc/06/98/13/564069813.db2.gz KNQCITVAWDNUOT-BYCMXARLSA-N 0 3 343.389 4.229 50 0 EIAAHN CNC(=O)c1ccc(CN[C@H](c2cccs2)C2CCCC2)cc1 ZINC000089391874 564089959 /nfs/dbraw/zinc/08/99/59/564089959.db2.gz IUQOVNJANZPBHI-SFHVURJKSA-N 0 3 328.481 4.129 50 0 EIAAHN Cc1ccc(NC(=O)CNCCCSc2ccccc2)cc1C ZINC000006559588 564092064 /nfs/dbraw/zinc/09/20/64/564092064.db2.gz SDZBTPGLLVSEDN-UHFFFAOYSA-N 0 3 328.481 4.014 50 0 EIAAHN COc1ccccc1OCCCN1CCCC[C@@H]1c1cccnc1 ZINC000006624649 564094634 /nfs/dbraw/zinc/09/46/34/564094634.db2.gz ADUGBERARZJNJN-GOSISDBHSA-N 0 3 326.440 4.086 50 0 biogenic EIAAHN Cc1cccc(CN2CC=C(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000064818023 564096517 /nfs/dbraw/zinc/09/65/17/564096517.db2.gz UHEKYFPOYGUFBK-SFHVURJKSA-N 0 3 334.463 4.005 50 0 EIAAHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000095967944 564143127 /nfs/dbraw/zinc/14/31/27/564143127.db2.gz 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/nfs/dbraw/zinc/16/67/71/564166771.db2.gz PCEJDRUUSBCEAX-UHFFFAOYSA-N 0 3 327.472 4.081 50 0 EIAAHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2cccnc2)no1 ZINC000069679465 564171459 /nfs/dbraw/zinc/17/14/59/564171459.db2.gz RADWUCFYGCKYPE-OALUTQOASA-N 0 3 348.450 4.290 50 0 EIAAHN C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(F)c1 ZINC000174024666 564173707 /nfs/dbraw/zinc/17/37/07/564173707.db2.gz RVFIKDIZCBTWMC-HNNXBMFYSA-N 0 3 349.409 4.324 50 0 EIAAHN COc1cccc([C@@H]2CCN2Cc2cc(C)ccc2-n2cccn2)c1 ZINC000824774921 1044527904 /nfs/dbraw/zinc/52/79/04/1044527904.db2.gz SKYXVAFFAKNRNM-FQEVSTJZSA-N 0 3 333.435 4.136 50 0 EIAAHN CC(C)c1ccc(CN2CCC(C(=O)NC3CCCC3)CC2)cc1 ZINC000004700008 210251680 /nfs/dbraw/zinc/25/16/80/210251680.db2.gz VMJQJUFKJSTJNI-UHFFFAOYSA-N 0 3 328.500 4.081 50 0 EIAAHN CC[C@H](C)N(Cc1ccc(-c2cc[nH]n2)s1)Cc1ccncc1 ZINC000055358210 214311682 /nfs/dbraw/zinc/31/16/82/214311682.db2.gz YMZJFARGYILQHK-AWEZNQCLSA-N 0 3 326.469 4.334 50 0 EIAAHN c1csc(CN(Cc2cccc3cccnc32)C[C@@H]2CCCO2)c1 ZINC000055527838 214327066 /nfs/dbraw/zinc/32/70/66/214327066.db2.gz GHBSLMGTYVRKPV-SFHVURJKSA-N 0 3 338.476 4.478 50 0 EIAAHN C/C(=C/C(=O)Nc1ccccc1CN1CCCC1)c1ccccc1F ZINC000056396469 214373894 /nfs/dbraw/zinc/37/38/94/214373894.db2.gz NEKJFQDJOMFVGO-PEZBUJJGSA-N 0 3 338.426 4.464 50 0 EIAAHN N=C1c2ccccc2CN1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000100929288 219112159 /nfs/dbraw/zinc/11/21/59/219112159.db2.gz VACMNOCIUSOJRB-UHFFFAOYSA-N 0 3 326.399 4.377 50 0 EIAAHN CN(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003428463 210036916 /nfs/dbraw/zinc/03/69/16/210036916.db2.gz RUFJTGBERFBNPP-QFIPXVFZSA-N 0 3 344.458 4.386 50 0 EIAAHN Cc1sc2ncnc(NC[C@@H](c3ccco3)N3CCCC3)c2c1C ZINC000003349299 210015714 /nfs/dbraw/zinc/01/57/14/210015714.db2.gz QWYQBXMPVKVMCU-AWEZNQCLSA-N 0 3 342.468 4.150 50 0 EIAAHN CCC/C=C/CN1CC[C@@]2(C1)CCCN(C(=O)c1cc(C)oc1C)C2 ZINC000067842827 215226696 /nfs/dbraw/zinc/22/66/96/215226696.db2.gz YFBBBJSXIZMISH-IRUYWQDXSA-N 0 3 344.499 4.181 50 0 EIAAHN CC(C)(C)OC(=O)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000040450012 213305394 /nfs/dbraw/zinc/30/53/94/213305394.db2.gz JOLUJGJHYSSPCF-NRFANRHFSA-N 0 3 344.499 4.300 50 0 EIAAHN Cc1ccc(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)cc1Cl ZINC000036847519 213122403 /nfs/dbraw/zinc/12/24/03/213122403.db2.gz VQVMLUZYXASLIP-UONOGXRCSA-N 0 3 339.936 4.198 50 0 EIAAHN CC(C)CNCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036154298 213074730 /nfs/dbraw/zinc/07/47/30/213074730.db2.gz NWZAQNAFHRNQIZ-UHFFFAOYSA-N 0 3 347.871 4.051 50 0 EIAAHN CC(C)CCN(Cc1ccccc1F)C[C@H](O)COc1ccccc1 ZINC000036031074 213057121 /nfs/dbraw/zinc/05/71/21/213057121.db2.gz DEDCKYMPDMPWHI-IBGZPJMESA-N 0 3 345.458 4.114 50 0 EIAAHN CCN(CC)[C@H](CNC(=O)C(C)(C)c1ccccc1)c1ccccc1 ZINC000032903887 212866106 /nfs/dbraw/zinc/86/61/06/212866106.db2.gz LYYDTACEWCLSHC-HXUWFJFHSA-N 0 3 338.495 4.164 50 0 EIAAHN Cc1cccc2[nH]c(C3CCN(Cc4ccnc(C(C)C)n4)CC3)nc21 ZINC000072140515 216026988 /nfs/dbraw/zinc/02/69/88/216026988.db2.gz NRLDETPQTHLVAY-UHFFFAOYSA-N 0 3 349.482 4.164 50 0 EIAAHN Cc1cccc2nc(C3CCN(Cc4ccnc(C(C)C)n4)CC3)[nH]c21 ZINC000072140515 216026993 /nfs/dbraw/zinc/02/69/93/216026993.db2.gz NRLDETPQTHLVAY-UHFFFAOYSA-N 0 3 349.482 4.164 50 0 EIAAHN O=C(NCC1CCN(Cc2ccco2)CC1)c1ccc2ccccc2c1 ZINC000023128033 212351968 /nfs/dbraw/zinc/35/19/68/212351968.db2.gz XUPBCVTXKIHBED-UHFFFAOYSA-N 0 3 348.446 4.075 50 0 EIAAHN Cc1nc(CN(C)Cc2cc(CN3CCCCC3)cs2)cs1 ZINC000215210867 241111378 /nfs/dbraw/zinc/11/13/78/241111378.db2.gz JODXQQUEORZMEM-UHFFFAOYSA-N 0 3 335.542 4.131 50 0 EIAAHN Cc1ccc(NC(=O)c2cccc3[nH]cc(CN4CCCC4)c32)cc1 ZINC000075483510 216623766 /nfs/dbraw/zinc/62/37/66/216623766.db2.gz JIHZUHJGLHCCCJ-UHFFFAOYSA-N 0 3 333.435 4.324 50 0 EIAAHN NC[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 ZINC000021811803 212253361 /nfs/dbraw/zinc/25/33/61/212253361.db2.gz QZUWGSTWDIGMRY-AWEZNQCLSA-N 0 3 327.280 4.113 50 0 EIAAHN COc1cc2c(cc1CN[C@@H]1CCCC[C@H]1C(F)(F)F)O[C@@H](C)C2 ZINC000229733197 242194466 /nfs/dbraw/zinc/19/44/66/242194466.db2.gz KNQCITVAWDNUOT-NILFDRSVSA-N 0 3 343.389 4.229 50 0 EIAAHN CN1CCN(CC[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020590849 212150289 /nfs/dbraw/zinc/15/02/89/212150289.db2.gz XKKQWHDMZSAMNH-HXUWFJFHSA-N 0 3 328.887 4.109 50 0 EIAAHN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)c(C)c1)NCC2 ZINC000020506985 212141481 /nfs/dbraw/zinc/14/14/81/212141481.db2.gz NTXTUAGTHQGWIM-OAQYLSRUSA-N 0 3 325.452 4.336 50 0 EIAAHN C[C@H](NCc1ccc(-c2ccccc2F)o1)[C@H](O)c1ccccc1 ZINC000020312683 212117871 /nfs/dbraw/zinc/11/78/71/212117871.db2.gz LLHIIAUCPXOGKE-XOBRGWDASA-N 0 3 325.383 4.297 50 0 EIAAHN CC(=O)Nc1cccc([C@@H](C)NCc2cccc(Br)c2)c1 ZINC000020187456 212109993 /nfs/dbraw/zinc/10/99/93/212109993.db2.gz BMBZMYBTMVCHOD-GFCCVEGCSA-N 0 3 347.256 4.258 50 0 EIAAHN CCc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019359637 212020819 /nfs/dbraw/zinc/02/08/19/212020819.db2.gz WYKLMLBMHDEGJT-UHFFFAOYSA-N 0 3 333.479 4.048 50 0 EIAAHN O=C(NC1CCCCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000016607320 211920799 /nfs/dbraw/zinc/92/07/99/211920799.db2.gz ULPSSKRLOJJMMQ-UHFFFAOYSA-N 0 3 328.500 4.128 50 0 EIAAHN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C3CCSCC3)C2)c1 ZINC000012429999 211378547 /nfs/dbraw/zinc/37/85/47/211378547.db2.gz ZBNHEUQCSBYTRB-QGZVFWFLSA-N 0 3 347.524 4.264 50 0 EIAAHN COCCN(C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000012459326 211388609 /nfs/dbraw/zinc/38/86/09/211388609.db2.gz QAGVQJFZUHHBDQ-UHFFFAOYSA-N 0 3 349.478 4.234 50 0 EIAAHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc1C ZINC000012246343 211329954 /nfs/dbraw/zinc/32/99/54/211329954.db2.gz LEMKJYBDROFACD-SFHVURJKSA-N 0 3 341.499 4.305 50 0 EIAAHN CCC[C@@]1(CO)CCCN(Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000091519376 218016484 /nfs/dbraw/zinc/01/64/84/218016484.db2.gz GUAZXXIWVUMNGN-HXUWFJFHSA-N 0 3 328.456 4.025 50 0 EIAAHN Cc1cc(CNC(=O)c2ccc(CN3CCCCC3)cc2)ccc1F ZINC000010552341 211181120 /nfs/dbraw/zinc/18/11/20/211181120.db2.gz KNMYAIWQNUGXNY-UHFFFAOYSA-N 0 3 340.442 4.050 50 0 EIAAHN O=C(CCN1CCc2sccc2C1)Nc1cccc2ccccc21 ZINC000010093132 211147122 /nfs/dbraw/zinc/14/71/22/211147122.db2.gz VTHQVNFBQIEUIR-UHFFFAOYSA-N 0 3 336.460 4.288 50 0 EIAAHN CSc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000009062802 211037075 /nfs/dbraw/zinc/03/70/75/211037075.db2.gz SHLRCLJUXQSKMY-UHFFFAOYSA-N 0 3 340.492 4.259 50 0 EIAAHN CCCC[C@H]1C=CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095391104 218322187 /nfs/dbraw/zinc/32/21/87/218322187.db2.gz MNDJGNGUUCJSLI-FQEVSTJZSA-N 0 3 326.484 4.243 50 0 EIAAHN O=C(Nc1ccc(CN[C@@H]2CCc3ccccc32)cc1)c1cccnc1 ZINC000095421423 218363413 /nfs/dbraw/zinc/36/34/13/218363413.db2.gz JJFVOSFASUQMIQ-OAQYLSRUSA-N 0 3 343.430 4.111 50 0 EIAAHN C[C@H](NC[C@@H](O)COc1ccccc1C(C)(C)C)c1ccccc1 ZINC000005073883 210385314 /nfs/dbraw/zinc/38/53/14/210385314.db2.gz QCDAHAHOFXFTEW-FUHWJXTLSA-N 0 3 327.468 4.075 50 0 EIAAHN CC(C)(C)c1ccc(CC[C@H]2OC[C@@H](CN3CCCCC3)O2)cc1 ZINC000000171791 258047710 /nfs/dbraw/zinc/04/77/10/258047710.db2.gz VVQPTNXUXFFVHA-UXHICEINSA-N 0 3 331.500 4.144 50 0 EIAAHN COc1ccc2oc(=O)cc(CN(Cc3cccs3)C(C)C)c2c1 ZINC000057570182 258061806 /nfs/dbraw/zinc/06/18/06/258061806.db2.gz JGAKBRJDAPZQSO-UHFFFAOYSA-N 0 3 343.448 4.274 50 0 EIAAHN COc1ccc(OC)c2nc(-c3cccc(C)c3)c(CN(C)C)cc12 ZINC000072477918 258064792 /nfs/dbraw/zinc/06/47/92/258064792.db2.gz ZQLFMBLEKNQNRX-UHFFFAOYSA-N 0 3 336.435 4.289 50 0 EIAAHN COCc1cc(CN[C@H](C)c2cnc3ccsc3c2)ccc1F ZINC000095422712 522925315 /nfs/dbraw/zinc/92/53/15/522925315.db2.gz RWTYSHSATHZHCD-GFCCVEGCSA-N 0 3 330.428 4.433 50 0 EIAAHN CC(C)N1CCC[C@H]1CNC(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000215309465 535179258 /nfs/dbraw/zinc/17/92/58/535179258.db2.gz YKUIJNROPSCSOW-FQEVSTJZSA-N 0 3 340.442 4.095 50 0 EIAAHN CNC(=O)c1ccc(CN2CCCCC[C@H]2c2cccc(F)c2)cc1 ZINC000244893036 536422592 /nfs/dbraw/zinc/42/25/92/536422592.db2.gz YUCOABVAUCZEJR-FQEVSTJZSA-N 0 3 340.442 4.303 50 0 EIAAHN COc1ccccc1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000003848322 563489445 /nfs/dbraw/zinc/48/94/45/563489445.db2.gz SCBLVDQUJQLKRJ-UHFFFAOYSA-N 0 3 347.462 4.465 50 0 EIAAHN COc1cc(C)c(CN2CCN(c3cc(C)ccc3C)CC2)cc1C ZINC000004980720 563516948 /nfs/dbraw/zinc/51/69/48/563516948.db2.gz QVDDHPUHEMRNAS-UHFFFAOYSA-N 0 3 338.495 4.251 50 0 EIAAHN CC(C)c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000006742537 563584598 /nfs/dbraw/zinc/58/45/98/563584598.db2.gz RNDZSAXZFUYBDF-UHFFFAOYSA-N 0 3 329.488 4.292 50 0 EIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(F)cc1Cl ZINC000014244091 563754327 /nfs/dbraw/zinc/75/43/27/563754327.db2.gz QKKZRIVTNPLBIC-GOSISDBHSA-N 0 3 346.833 4.046 50 0 EIAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1CCC1=CCCCC1 ZINC000014994134 563770873 /nfs/dbraw/zinc/77/08/73/563770873.db2.gz LMZBVRYDNILKMW-LJQANCHMSA-N 0 3 344.474 4.187 50 0 EIAAHN CCc1c(C)scc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000016603319 563816375 /nfs/dbraw/zinc/81/63/75/563816375.db2.gz BOXIWQGGCRKALX-UHFFFAOYSA-N 0 3 342.508 4.013 50 0 EIAAHN COc1ccc(CN2CCN(c3ccc(C)cc3)CC2)c2ccccc12 ZINC000019609013 563856222 /nfs/dbraw/zinc/85/62/22/563856222.db2.gz GHGONIOHXPDOCL-UHFFFAOYSA-N 0 3 346.474 4.479 50 0 EIAAHN COc1ccccc1NC(=O)CCN(C)Cc1ccc2ccccc2c1 ZINC000025679500 563887410 /nfs/dbraw/zinc/88/74/10/563887410.db2.gz FJJLBJJIRRMJGL-UHFFFAOYSA-N 0 3 348.446 4.309 50 0 EIAAHN Cc1ccc([C@H](CNC(=O)c2ccccc2C)N2CCCCC2)cc1 ZINC000027581876 563897131 /nfs/dbraw/zinc/89/71/31/563897131.db2.gz XYLNAHVWRMFSGL-NRFANRHFSA-N 0 3 336.479 4.260 50 0 EIAAHN Cc1c(C)n(C[C@@H](O)CNCc2ccccc2)c2c1cccc2Cl ZINC000028296750 563902311 /nfs/dbraw/zinc/90/23/11/563902311.db2.gz UIGPWDODUHDVAJ-KRWDZBQOSA-N 0 3 342.870 4.062 50 0 EIAAHN Cc1cc(OC[C@@H](O)CN[C@H](C)c2ccccc2)cc(C)c1Cl ZINC000002674787 563918003 /nfs/dbraw/zinc/91/80/03/563918003.db2.gz ZCYYUSJJSWGWPN-WBVHZDCISA-N 0 3 333.859 4.047 50 0 EIAAHN CC(C)(C)c1cc(CN2CCCC[C@@H]2CO)cc(C(C)(C)C)c1O ZINC000004948521 563919005 /nfs/dbraw/zinc/91/90/05/563919005.db2.gz MELWRIWLVQKXIU-MRXNPFEDSA-N 0 3 333.516 4.334 50 0 EIAAHN O=C(NC1(c2ccccc2)CCC1)C1CCN(Cc2ccccc2)CC1 ZINC000058357619 563943681 /nfs/dbraw/zinc/94/36/81/563943681.db2.gz XDZKMYNDLLWTJY-UHFFFAOYSA-N 0 3 348.490 4.094 50 0 EIAAHN C[C@@H](CCc1cccn1C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000097009655 563966624 /nfs/dbraw/zinc/96/66/24/563966624.db2.gz WPDJKKMSXNKVSD-AWEZNQCLSA-N 0 3 343.471 4.399 50 0 EIAAHN CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)Cc1ccc(F)cc1 ZINC000097032874 563966844 /nfs/dbraw/zinc/96/68/44/563966844.db2.gz AJERHQAKKGVZLF-GJZGRUSLSA-N 0 3 325.431 4.477 50 0 EIAAHN COCCC[C@@H]1CCCCN1Cc1ccc2cccc(OC)c2n1 ZINC000077320212 563968931 /nfs/dbraw/zinc/96/89/31/563968931.db2.gz LKTKJTYRNAFKPX-SFHVURJKSA-N 0 3 328.456 4.025 50 0 EIAAHN Cc1nccn1CC[C@H]1CCCCN1C/C=C/c1ccc(F)cc1 ZINC000077379504 563969284 /nfs/dbraw/zinc/96/92/84/563969284.db2.gz MZHHWXOABWIAHW-DPZZJQGRSA-N 0 3 327.447 4.289 50 0 EIAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)cc1 ZINC000077407115 563969486 /nfs/dbraw/zinc/96/94/86/563969486.db2.gz RSSKKHOEBDHICC-INIZCTEOSA-N 0 3 342.405 4.144 50 0 EIAAHN CCCN1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 ZINC000085554778 563973852 /nfs/dbraw/zinc/97/38/52/563973852.db2.gz YJLJVVFOCHHTQG-UHFFFAOYSA-N 0 3 329.494 4.375 50 0 EIAAHN COc1cc([C@H]2NCCc3c4ccccc4[nH]c32)ccc1OC(C)C ZINC000000099477 563981664 /nfs/dbraw/zinc/98/16/64/563981664.db2.gz KQCQEDQQQAKBDX-HXUWFJFHSA-N 0 3 336.435 4.199 50 0 biogenic,in-vitro EIAAHN Cc1ccc([C@@H](C)CCN(C)Cc2cc(-c3ccccn3)no2)o1 ZINC000097532829 563981683 /nfs/dbraw/zinc/98/16/83/563981683.db2.gz SANAOGHYEPKGAR-AWEZNQCLSA-N 0 3 325.412 4.264 50 0 EIAAHN C[C@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000300536 563990815 /nfs/dbraw/zinc/99/08/15/563990815.db2.gz XCNCPQPAEDAPFL-UWJYYQICSA-N 0 3 336.479 4.176 50 0 EIAAHN Cc1ccc(-c2nnc(N3CCCN(C)CC3)c3ccccc32)cc1C ZINC000003243089 564004278 /nfs/dbraw/zinc/00/42/78/564004278.db2.gz IRCXWMGKBJMHRL-UHFFFAOYSA-N 0 3 346.478 4.056 50 0 EIAAHN COc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1F ZINC000008470461 564016335 /nfs/dbraw/zinc/01/63/35/564016335.db2.gz OJAKGGTUTCYSAP-UHFFFAOYSA-N 0 3 335.806 4.319 50 0 EIAAHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000005788600 564052145 /nfs/dbraw/zinc/05/21/45/564052145.db2.gz JTFAPYUEBOLXAA-CXUGJCBMSA-N 0 3 333.516 4.176 50 0 EIAAHN CC[C@@H](C)NCc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248249877 564053109 /nfs/dbraw/zinc/05/31/09/564053109.db2.gz RXRURJZOOQSXPI-OAHLLOKOSA-N 0 3 338.430 4.021 50 0 EIAAHN CCCCNCc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248259657 564053120 /nfs/dbraw/zinc/05/31/20/564053120.db2.gz VUOVLAPNFOQHRK-UHFFFAOYSA-N 0 3 338.430 4.022 50 0 EIAAHN CCn1nc(CNC23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 ZINC000249695582 564053168 /nfs/dbraw/zinc/05/31/68/564053168.db2.gz RDZXMRXCXUOKCI-UHFFFAOYSA-N 0 3 336.483 4.023 50 0 EIAAHN CN1CC=C(CNc2ccc(Br)c3ccccc23)CC1 ZINC000000974510 564053795 /nfs/dbraw/zinc/05/37/95/564053795.db2.gz CGHOBWQVLNOACE-UHFFFAOYSA-N 0 3 331.257 4.276 50 0 EIAAHN Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1F ZINC000012677174 564062597 /nfs/dbraw/zinc/06/25/97/564062597.db2.gz XASDZBQTQPURDC-LIRRHRJNSA-N 0 3 326.415 4.202 50 0 EIAAHN Cc1ccc(C(=O)[C@@H](O)[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000001394789 564064648 /nfs/dbraw/zinc/06/46/48/564064648.db2.gz QIAUEJSGCORVTR-UNMCSNQZSA-N 0 3 337.463 4.074 50 0 EIAAHN Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000084225442 564067456 /nfs/dbraw/zinc/06/74/56/564067456.db2.gz AVTOQKCDIIRURG-WOJBJXKFSA-N 0 3 343.442 4.019 50 0 EIAAHN CC(C)c1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000012781161 564069971 /nfs/dbraw/zinc/06/99/71/564069971.db2.gz ZCUWFBKAIQGOHJ-HNNXBMFYSA-N 0 3 331.481 4.064 50 0 EIAAHN C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000006638929 564094798 /nfs/dbraw/zinc/09/47/98/564094798.db2.gz YDTGXDPVOVASKX-SCLBCKFNSA-N 0 3 328.843 4.334 50 0 EIAAHN O=C(Nc1ccc(F)cc1)[C@@H](NC1CCCCC1)c1ccccc1 ZINC000006640035 564094894 /nfs/dbraw/zinc/09/48/94/564094894.db2.gz AVCFCIONZNYWDA-IBGZPJMESA-N 0 3 326.415 4.428 50 0 EIAAHN CC[C@@H](C)N(Cc1ccsc1)C[C@@H](O)COc1ccccc1C ZINC000169679113 564098158 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Clc1cccc(CN2CCC[C@H](c3nccn3CC3CC3)C2)c1 ZINC000082096522 563972123 /nfs/dbraw/zinc/97/21/23/563972123.db2.gz GUHLGSKPTXEWRA-KRWDZBQOSA-N 0 3 329.875 4.326 50 0 EIAAHN Cc1ccc2oc(C(=O)N3CCCN(C4CCCCC4)CC3)cc2c1 ZINC000082138660 563972684 /nfs/dbraw/zinc/97/26/84/563972684.db2.gz CJEAHFMHNJJWPT-UHFFFAOYSA-N 0 3 340.467 4.222 50 0 EIAAHN Cc1cccc(-c2cccc(NC(=O)N3CCC[C@H](N(C)C)C3)c2)c1 ZINC000096150209 563979655 /nfs/dbraw/zinc/97/96/55/563979655.db2.gz JTUHTIAYEZFLGM-FQEVSTJZSA-N 0 3 337.467 4.220 50 0 EIAAHN COc1cc(CNCc2cccc(C(F)(F)F)c2)cc(OC)c1 ZINC000000172211 564012154 /nfs/dbraw/zinc/01/21/54/564012154.db2.gz GPODWYHABMDXQL-UHFFFAOYSA-N 0 3 325.330 4.012 50 0 EIAAHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000018179942 564018611 /nfs/dbraw/zinc/01/86/11/564018611.db2.gz ITWRHJPFYUJFSK-SFHVURJKSA-N 0 3 347.409 4.169 50 0 EIAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc(Cl)cc1 ZINC000008157000 564034736 /nfs/dbraw/zinc/03/47/36/564034736.db2.gz YUQAAVCWFAVHHJ-OAHLLOKOSA-N 0 3 349.887 4.360 50 0 EIAAHN c1ccc2c(c1)-c1ccccc1C2NC[C@H]1COc2ccccc2O1 ZINC000058121833 564035439 /nfs/dbraw/zinc/03/54/39/564035439.db2.gz RPZIYOZJKZFRQS-HNNXBMFYSA-N 0 3 329.399 4.186 50 0 EIAAHN CNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000248067735 564052954 /nfs/dbraw/zinc/05/29/54/564052954.db2.gz AFWMPQPGSBQGCT-UHFFFAOYSA-N 0 3 347.249 4.020 50 0 EIAAHN Clc1cc(CN2CCC[C@@H]2Cc2ccccc2)c2c(c1)COCO2 ZINC000025358646 564054252 /nfs/dbraw/zinc/05/42/52/564054252.db2.gz GEMZUJJIJKLUJQ-LJQANCHMSA-N 0 3 343.854 4.414 50 0 EIAAHN Cc1ccc(C(=O)[C@H](O)[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000001394791 564064660 /nfs/dbraw/zinc/06/46/60/564064660.db2.gz QIAUEJSGCORVTR-RBBKRZOGSA-N 0 3 337.463 4.074 50 0 EIAAHN O[C@@H](CNCc1cccc(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000084562766 564068709 /nfs/dbraw/zinc/06/87/09/564068709.db2.gz MVPDOYUSASHPGB-NRFANRHFSA-N 0 3 339.385 4.455 50 0 EIAAHN Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000012782223 564070066 /nfs/dbraw/zinc/07/00/66/564070066.db2.gz UASGSKCAXINGKU-PXNSSMCTSA-N 0 3 337.467 4.342 50 0 EIAAHN Cc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000012809883 564072553 /nfs/dbraw/zinc/07/25/53/564072553.db2.gz IUPMUJYWPGJCSN-PXNSSMCTSA-N 0 3 337.467 4.342 50 0 EIAAHN Cc1ccc(C(C)C)c(OC[C@@H](O)CN[C@H](C)c2ccccc2)c1 ZINC000005968102 564072757 /nfs/dbraw/zinc/07/27/57/564072757.db2.gz ZDOYPOMEISNALF-MJGOQNOKSA-N 0 3 327.468 4.209 50 0 EIAAHN CCCN(Cc1ccc(C)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862308 564077038 /nfs/dbraw/zinc/07/70/38/564077038.db2.gz WETFEOORAZMAIZ-UHFFFAOYSA-N 0 3 338.426 4.388 50 0 EIAAHN COc1ccccc1NC(=O)CCN(C)Cc1ccc(C(C)C)cc1 ZINC000012940791 564079585 /nfs/dbraw/zinc/07/95/85/564079585.db2.gz KCBKXLOQOPDZKW-UHFFFAOYSA-N 0 3 340.467 4.279 50 0 EIAAHN CCc1ccc([C@@H](C)NC2CCN([C@@H](C)c3ccncc3)CC2)o1 ZINC000090667704 564085849 /nfs/dbraw/zinc/08/58/49/564085849.db2.gz HFUDNXZUWOLPKJ-CVEARBPZSA-N 0 3 327.472 4.113 50 0 EIAAHN C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000006638933 564094764 /nfs/dbraw/zinc/09/47/64/564094764.db2.gz YDTGXDPVOVASKX-FZKQIMNGSA-N 0 3 328.843 4.334 50 0 EIAAHN COc1ccc(-c2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1OC ZINC000007001503 564102957 /nfs/dbraw/zinc/10/29/57/564102957.db2.gz HZMYFGMYYPWYMU-KBPBESRZSA-N 0 3 346.496 4.305 50 0 EIAAHN C[C@@H](NCc1cnc(C2CCC2)s1)c1cccc(-n2ccnc2)c1 ZINC000089905379 564115095 /nfs/dbraw/zinc/11/50/95/564115095.db2.gz MWRLYAKNPBZBAN-CQSZACIVSA-N 0 3 338.480 4.447 50 0 EIAAHN C[C@H](NCc1cnc(C2CCC2)s1)c1cccc(-n2cccn2)c1 ZINC000089905372 564115104 /nfs/dbraw/zinc/11/51/04/564115104.db2.gz UHFRQVOCARRGDR-AWEZNQCLSA-N 0 3 338.480 4.447 50 0 EIAAHN Cc1cc(OCCOCCNCc2ccccc2)ccc1C(C)C ZINC000002822401 564116928 /nfs/dbraw/zinc/11/69/28/564116928.db2.gz KAOSDDZQSNVTFJ-UHFFFAOYSA-N 0 3 327.468 4.304 50 0 EIAAHN CC1CCN(Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 ZINC000002122938 564118420 /nfs/dbraw/zinc/11/84/20/564118420.db2.gz NWVXZCNZCSPGAR-UHFFFAOYSA-N 0 3 349.430 4.398 50 0 biogenic EIAAHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000170677573 564121396 /nfs/dbraw/zinc/12/13/96/564121396.db2.gz NXUZUKMPUTZNSE-HNAYVOBHSA-N 0 3 326.440 4.030 50 0 EIAAHN CC(C)CC(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095461564 564140789 /nfs/dbraw/zinc/14/07/89/564140789.db2.gz JUSHNMWPKVYQOI-FQEVSTJZSA-N 0 3 346.515 4.451 50 0 EIAAHN O[C@@H](C1CCN([C@H]2CCCCc3ccccc32)CC1)C(F)(F)F ZINC000095968374 564143187 /nfs/dbraw/zinc/14/31/87/564143187.db2.gz JCCCIRUULSLXLX-IRXDYDNUSA-N 0 3 327.390 4.089 50 0 EIAAHN O[C@H](C1CCN([C@@H]2CCCCc3ccccc32)CC1)C(F)(F)F ZINC000095968377 564143189 /nfs/dbraw/zinc/14/31/89/564143189.db2.gz JCCCIRUULSLXLX-IAGOWNOFSA-N 0 3 327.390 4.089 50 0 EIAAHN CCc1ccc(CN(C)C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000002644539 564151784 /nfs/dbraw/zinc/15/17/84/564151784.db2.gz YZFWDYAPPWGHIE-NRFANRHFSA-N 0 3 349.474 4.274 50 0 EIAAHN CC(C)[C@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000057647966 564155265 /nfs/dbraw/zinc/15/52/65/564155265.db2.gz GSMVYGFVLRZCNC-IBGZPJMESA-N 0 3 348.849 4.082 50 0 EIAAHN C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003211536 564156005 /nfs/dbraw/zinc/15/60/05/564156005.db2.gz GCGQKWVEEUIHKE-YOEHRIQHSA-N 0 3 329.469 4.095 50 0 EIAAHN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058012651 564157184 /nfs/dbraw/zinc/15/71/84/564157184.db2.gz VDERFUJMNKLXHF-UEXGIBASSA-N 0 3 342.527 4.463 50 0 EIAAHN Cc1ccc([C@H](C(=O)NC2CCCC2)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000058012597 564157209 /nfs/dbraw/zinc/15/72/09/564157209.db2.gz RWNXKLSXBTXDBA-ABSDTBQOSA-N 0 3 328.500 4.073 50 0 EIAAHN O=C(Nc1cccc(CN2CCCCC2)c1)c1cc(F)cc(F)c1 ZINC000031621455 564159625 /nfs/dbraw/zinc/15/96/25/564159625.db2.gz HTASJCASZPUTHH-UHFFFAOYSA-N 0 3 330.378 4.203 50 0 EIAAHN Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCC[C@@H]1C ZINC000008714082 564166692 /nfs/dbraw/zinc/16/66/92/564166692.db2.gz QRMPNUKJYQKALC-NSHDSACASA-N 0 3 349.272 4.386 50 0 EIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc(C)c1 ZINC000069460715 564169723 /nfs/dbraw/zinc/16/97/23/564169723.db2.gz MZPWVJJAXPBTKB-UYAOXDASSA-N 0 3 335.451 4.143 50 0 EIAAHN C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1cnn(C2CCCC2)c1 ZINC000337460658 1026814508 /nfs/dbraw/zinc/81/45/08/1026814508.db2.gz KGCJSGQBOZMBCW-MRXNPFEDSA-N 0 3 349.482 4.250 50 0 EIAAHN Cc1ccc2c(c1)cc(CNCc1cc3ccccc3s1)c(=O)n2C ZINC000023128569 1027811251 /nfs/dbraw/zinc/81/12/51/1027811251.db2.gz BXNQPXXGFQZVQW-UHFFFAOYSA-N 0 3 348.471 4.351 50 0 EIAAHN Cc1ccc(CN2CCC3(CC2)C[C@@H](CCOCC2CC2)CCO3)o1 ZINC000581811623 1060011282 /nfs/dbraw/zinc/01/12/82/1060011282.db2.gz YSCAHDZHZWGJLR-SFHVURJKSA-N 0 3 347.499 4.166 50 0 EIAAHN COc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000054667168 214250070 /nfs/dbraw/zinc/25/00/70/214250070.db2.gz SQZNUIMRHATDTC-LJQANCHMSA-N 0 3 346.858 4.274 50 0 EIAAHN c1c2ccccc2oc1CN1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000097743202 219053239 /nfs/dbraw/zinc/05/32/39/219053239.db2.gz CXVBLJZFWXYWPI-UHFFFAOYSA-N 0 3 337.423 4.148 50 0 EIAAHN CC[C@@H](C)N(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccnc1 ZINC000055167768 214283301 /nfs/dbraw/zinc/28/33/01/214283301.db2.gz KUKJKWSYUPUOSY-OAHLLOKOSA-N 0 3 338.430 4.412 50 0 EIAAHN O=C(/C=C\c1c(F)cccc1F)Nc1cccc(CN2CCCC2)c1 ZINC000098042596 219073876 /nfs/dbraw/zinc/07/38/76/219073876.db2.gz NGACACGWZADGAL-KTKRTIGZSA-N 0 3 342.389 4.213 50 0 EIAAHN CC(C)(C)n1cc(C2=CCN(Cc3cccc4cccnc43)CC2)cn1 ZINC000065373696 214878608 /nfs/dbraw/zinc/87/86/08/214878608.db2.gz LSIIICQQFHITJU-UHFFFAOYSA-N 0 3 346.478 4.476 50 0 EIAAHN CC(C)c1cc(C2CCN(Cc3cccc(-n4cccn4)c3)CC2)[nH]n1 ZINC000067459566 215149326 /nfs/dbraw/zinc/14/93/26/215149326.db2.gz DEPZWYAHXKHLBP-UHFFFAOYSA-N 0 3 349.482 4.098 50 0 EIAAHN COc1ccccc1-c1ccc(Oc2ccccc2CN(C)C)nn1 ZINC000067754942 215202881 /nfs/dbraw/zinc/20/28/81/215202881.db2.gz UCVOPYBMFIDPLA-UHFFFAOYSA-N 0 3 335.407 4.006 50 0 EIAAHN CC[C@@H](C)CN1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000039364618 213234891 /nfs/dbraw/zinc/23/48/91/213234891.db2.gz ZFTDCRKCBQHVNS-DYESRHJHSA-N 0 3 339.479 4.203 50 0 EIAAHN c1ccc(-c2nnc(OCCN3CCCCC3)c3ccccc32)cc1 ZINC000000532384 209651507 /nfs/dbraw/zinc/65/15/07/209651507.db2.gz CVPQOTLXDNZNLW-UHFFFAOYSA-N 0 3 333.435 4.162 50 0 EIAAHN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000036347911 213085832 /nfs/dbraw/zinc/08/58/32/213085832.db2.gz MOCTZIFGGDZGNT-QFIPXVFZSA-N 0 3 332.447 4.492 50 0 EIAAHN CC(C)CCN(Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036096343 213062526 /nfs/dbraw/zinc/06/25/26/213062526.db2.gz YUSNATYSGRQYJC-FQEVSTJZSA-N 0 3 329.459 4.277 50 0 EIAAHN CC(=O)C1(c2ccccc2)CCN(Cc2ccc3ccccc3n2)CC1 ZINC000072154047 216043889 /nfs/dbraw/zinc/04/38/89/216043889.db2.gz KYMPGWRPEMQCSI-UHFFFAOYSA-N 0 3 344.458 4.358 50 0 EIAAHN COc1cc(CN[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000022784011 212323117 /nfs/dbraw/zinc/32/31/17/212323117.db2.gz XZFXESHTISZFJJ-LBPRGKRZSA-N 0 3 335.831 4.217 50 0 EIAAHN Clc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000022877253 212331949 /nfs/dbraw/zinc/33/19/49/212331949.db2.gz OADCBMJTFBFQAR-INIZCTEOSA-N 0 3 335.278 4.358 50 0 EIAAHN CN(C)[C@@H](CNCc1ccc(-c2ccccc2F)o1)c1ccco1 ZINC000022095731 212276624 /nfs/dbraw/zinc/27/66/24/212276624.db2.gz HFYKODGJMWLBCR-KRWDZBQOSA-N 0 3 328.387 4.071 50 0 EIAAHN CCOCc1cc(CN2CCC(c3ccncc3)CC2)ccc1OC ZINC000215242212 241115214 /nfs/dbraw/zinc/11/52/14/241115214.db2.gz KCTKUKISKAWNCQ-UHFFFAOYSA-N 0 3 340.467 4.006 50 0 EIAAHN CCc1onc(C)c1[C@H]1CCCN1Cc1c[nH]nc1-c1ccccc1 ZINC000021720801 212244610 /nfs/dbraw/zinc/24/46/10/212244610.db2.gz YDBWRMBGTGSBFL-QGZVFWFLSA-N 0 3 336.439 4.273 50 0 EIAAHN Clc1ccc2nc([C@@H]3CCCN3CCCc3cccnc3)[nH]c2c1 ZINC000244712669 243062899 /nfs/dbraw/zinc/06/28/99/243062899.db2.gz KUAWBDIMAVFXOI-SFHVURJKSA-N 0 3 340.858 4.381 50 0 EIAAHN Cc1cc(C)nc(CN(C)CCC(=O)Nc2ccccc2C(C)C)c1 ZINC000244884135 243096676 /nfs/dbraw/zinc/09/66/76/243096676.db2.gz YGBGLFVDBBVXTK-UHFFFAOYSA-N 0 3 339.483 4.282 50 0 EIAAHN FC(F)(F)c1ccc(-c2noc(CCCN3CCCCC3)n2)cc1 ZINC000020455593 212132032 /nfs/dbraw/zinc/13/20/32/212132032.db2.gz 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ZINC000000034459 563967826 /nfs/dbraw/zinc/96/78/26/563967826.db2.gz CSOOWMINZBTBLR-FQEVSTJZSA-N 0 3 325.452 4.236 50 0 biogenic EIAAHN Cc1cc(-c2nnc(CN[C@@H](C)[C@H](C)c3ccccc3)o2)c(C)o1 ZINC000097110002 563968009 /nfs/dbraw/zinc/96/80/09/563968009.db2.gz WLSVMDUXWMXXQJ-KBPBESRZSA-N 0 3 325.412 4.228 50 0 EIAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCC(F)(F)F)cc1 ZINC000077407116 563969484 /nfs/dbraw/zinc/96/94/84/563969484.db2.gz RSSKKHOEBDHICC-MRXNPFEDSA-N 0 3 342.405 4.144 50 0 EIAAHN COc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)ccc1OC(C)C ZINC000000099474 563981642 /nfs/dbraw/zinc/98/16/42/563981642.db2.gz KQCQEDQQQAKBDX-FQEVSTJZSA-N 0 3 336.435 4.199 50 0 biogenic,in-vitro EIAAHN CCN(CC)CCn1c(-c2ccccc2)nc2c1C(=O)CC(C)(C)C2 ZINC000034514981 564017703 /nfs/dbraw/zinc/01/77/03/564017703.db2.gz TXZPBVDTEQXOFL-UHFFFAOYSA-N 0 3 339.483 4.047 50 0 EIAAHN O=C(NCCN1CCCCCC1)c1ccc(-c2ccccc2)cc1F ZINC000048248545 564030227 /nfs/dbraw/zinc/03/02/27/564030227.db2.gz MEJZDKKOZBDREH-UHFFFAOYSA-N 0 3 340.442 4.099 50 0 EIAAHN CCN(CC)[C@@H](CNC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000024838318 564036732 /nfs/dbraw/zinc/03/67/32/564036732.db2.gz JIONAZSFPHTVAU-SFHVURJKSA-N 0 3 348.849 4.292 50 0 EIAAHN COc1cccc([C@@H](CNc2nc3ccccc3s2)N(C)C)c1 ZINC000025371212 564037267 /nfs/dbraw/zinc/03/72/67/564037267.db2.gz OCJWDVJRDLSORR-MRXNPFEDSA-N 0 3 327.453 4.020 50 0 EIAAHN Cc1nc([C@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)c(C)s1 ZINC000223289294 564039494 /nfs/dbraw/zinc/03/94/94/564039494.db2.gz SSEDAGJEHRFRHC-AWEZNQCLSA-N 0 3 349.544 4.126 50 0 EIAAHN Cc1ccc(CN(C)C(=O)c2cccc(CN3CCCCCC3)c2)o1 ZINC000223571933 564040355 /nfs/dbraw/zinc/04/03/55/564040355.db2.gz CGQHSTITTJCBKF-UHFFFAOYSA-N 0 3 340.467 4.236 50 0 EIAAHN C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCCC1 ZINC000003215696 564058512 /nfs/dbraw/zinc/05/85/12/564058512.db2.gz WMBXQZYSDAJXAQ-CXAGYDPISA-N 0 3 348.899 4.357 50 0 EIAAHN Cc1ccccc1NC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC000043972147 564058884 /nfs/dbraw/zinc/05/88/84/564058884.db2.gz FVZKIHZLFAFIDT-UHFFFAOYSA-N 0 3 343.496 4.090 50 0 EIAAHN Cc1cc(-c2ccc(C(=O)N(C)CCN(C)C)cc2)c(Cl)cc1F ZINC000534590031 564061203 /nfs/dbraw/zinc/06/12/03/564061203.db2.gz VAOMUUSIDODQIG-UHFFFAOYSA-N 0 3 348.849 4.088 50 0 EIAAHN COc1cccc(-c2nc(CN3CCC[C@H]3C(C)C)cs2)c1OC ZINC000084456586 564068202 /nfs/dbraw/zinc/06/82/02/564068202.db2.gz MUXWMYIHJYSHML-INIZCTEOSA-N 0 3 346.496 4.448 50 0 EIAAHN O=C(c1cccc2ccccc21)N1CCN(C2CCCCCC2)CC1 ZINC000001456770 564072907 /nfs/dbraw/zinc/07/29/07/564072907.db2.gz IDEQMOWQNUVOIT-UHFFFAOYSA-N 0 3 336.479 4.320 50 0 EIAAHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(Cn2ccnc2)cc1 ZINC000152118840 564079713 /nfs/dbraw/zinc/07/97/13/564079713.db2.gz XIZPBVIJTKQLJC-QFIPXVFZSA-N 0 3 347.462 4.107 50 0 EIAAHN CN(C)Cc1ccc(CN[C@H]2CCc3sc(Cl)cc32)cc1F ZINC000090920044 564087028 /nfs/dbraw/zinc/08/70/28/564087028.db2.gz DWHNKKNUAYHWKW-HNNXBMFYSA-N 0 3 338.879 4.379 50 0 EIAAHN CC(C)CN(CC(C)C)C(=O)c1cccc(-c2cc(N)ccn2)c1 ZINC000426526282 564093975 /nfs/dbraw/zinc/09/39/75/564093975.db2.gz PXNYWFQXDBIHEZ-UHFFFAOYSA-N 0 3 325.456 4.085 50 0 EIAAHN O=C(Nc1ccc(F)cc1)[C@H](NC1CCCCC1)c1ccccc1 ZINC000006640036 564094865 /nfs/dbraw/zinc/09/48/65/564094865.db2.gz AVCFCIONZNYWDA-LJQANCHMSA-N 0 3 326.415 4.428 50 0 EIAAHN CC(C)c1ccc(CNC(=O)C2=CCN(Cc3ccccc3)CC2)cc1 ZINC000064817969 564096451 /nfs/dbraw/zinc/09/64/51/564096451.db2.gz MWVUDOFLPSEJFN-UHFFFAOYSA-N 0 3 348.490 4.259 50 0 EIAAHN Cc1cc2[nH]c(CN3CCC(C4CCOCC4)CC3)cc2c(C)c1 ZINC000170599824 564109286 /nfs/dbraw/zinc/10/92/86/564109286.db2.gz ARVFERAWRPQVJB-UHFFFAOYSA-N 0 3 326.484 4.423 50 0 EIAAHN CN(Cc1cc(Cl)cc2cccnc21)[C@H](CCO)c1ccccc1 ZINC000075897473 564113325 /nfs/dbraw/zinc/11/33/25/564113325.db2.gz NLAIHDHWSMJTRC-LJQANCHMSA-N 0 3 340.854 4.444 50 0 EIAAHN C[C@H](NCc1cnc(C2CCC2)s1)c1cccc(-n2ccnc2)c1 ZINC000089905377 564115098 /nfs/dbraw/zinc/11/50/98/564115098.db2.gz MWRLYAKNPBZBAN-AWEZNQCLSA-N 0 3 338.480 4.447 50 0 EIAAHN Cc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222430 564119304 /nfs/dbraw/zinc/11/93/04/564119304.db2.gz KKBHQDLLWJRBJL-NRFANRHFSA-N 0 3 331.463 4.407 50 0 EIAAHN CCCC(=O)Nc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252537321 564120568 /nfs/dbraw/zinc/12/05/68/564120568.db2.gz KYIOBDQAFYWDKU-HNNXBMFYSA-N 0 3 342.487 4.362 50 0 EIAAHN CC(C)C(=O)OC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252675661 564124856 /nfs/dbraw/zinc/12/48/56/564124856.db2.gz UPXITFPVTSHUBP-HOCLYGCPSA-N 0 3 343.389 4.288 50 0 EIAAHN O=C(NCCNCc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000013879952 564136373 /nfs/dbraw/zinc/13/63/73/564136373.db2.gz JAKOTFSKSDPNPE-UHFFFAOYSA-N 0 3 338.838 4.013 50 0 EIAAHN COc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1NC(C)=O ZINC000095967568 564143070 /nfs/dbraw/zinc/14/30/70/564143070.db2.gz ZXTAGAMRNKVWAS-QGZVFWFLSA-N 0 3 344.842 4.084 50 0 EIAAHN Fc1ccc([C@@H](Cn2ccnc2)N[C@H]2CCCc3ccccc32)cc1 ZINC000096013542 564144798 /nfs/dbraw/zinc/14/47/98/564144798.db2.gz IRSTYNNTMFFZIQ-LEWJYISDSA-N 0 3 335.426 4.431 50 0 EIAAHN Cc1ccc(CCCCN2CCC([C@@H](O)C(F)(F)F)CC2)cc1C ZINC000096013605 564144806 /nfs/dbraw/zinc/14/48/06/564144806.db2.gz VRGXURSHABTVBV-GOSISDBHSA-N 0 3 343.433 4.261 50 0 EIAAHN COc1cccc2cc([C@@H](C)N[C@@H](C)Cc3c(C)noc3C)oc21 ZINC000096493404 564148783 /nfs/dbraw/zinc/14/87/83/564148783.db2.gz RMBHCHRJRQYDGM-WCQYABFASA-N 0 3 328.412 4.328 50 0 EIAAHN CC[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000057574299 564155032 /nfs/dbraw/zinc/15/50/32/564155032.db2.gz ZCRGPQLJBRKMLU-WBMJQRKESA-N 0 3 336.888 4.147 50 0 EIAAHN C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1cccs1)N1CCCC1 ZINC000003207162 564155948 /nfs/dbraw/zinc/15/59/48/564155948.db2.gz YWYIJPAYNZMWDV-CXAGYDPISA-N 0 3 347.459 4.234 50 0 EIAAHN C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003211538 564156008 /nfs/dbraw/zinc/15/60/08/564156008.db2.gz GCGQKWVEEUIHKE-PBHICJAKSA-N 0 3 329.469 4.095 50 0 EIAAHN CCCOc1ccc2[nH]c(C)c(CN3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717136 564166740 /nfs/dbraw/zinc/16/67/40/564166740.db2.gz AKWZBVNLBKOERT-CQSZACIVSA-N 0 3 328.456 4.270 50 0 EIAAHN COc1ccc(Cl)c2c(=O)c(CN3CCCCCC3)c(C)[nH]c12 ZINC000008717394 564166795 /nfs/dbraw/zinc/16/67/95/564166795.db2.gz AGHKZSIWHDCKGG-UHFFFAOYSA-N 0 3 334.847 4.287 50 0 EIAAHN Cc1ccc(C(=O)Nc2ccccc2NC2CCN(C)CC2)c(C)c1 ZINC000069486113 564169837 /nfs/dbraw/zinc/16/98/37/564169837.db2.gz ZXEOJUUQAZFVFK-UHFFFAOYSA-N 0 3 337.467 4.062 50 0 EIAAHN COc1ccc([C@@H](C)C(=O)Nc2ccccc2CN2CCCC2)cc1 ZINC000069519695 564170104 /nfs/dbraw/zinc/17/01/04/564170104.db2.gz OLUXGWOVUPPDLS-MRXNPFEDSA-N 0 3 338.451 4.033 50 0 EIAAHN CCCOc1ccccc1C(=O)Nc1ccccc1CN1CCCC1 ZINC000822985485 1044218533 /nfs/dbraw/zinc/21/85/33/1044218533.db2.gz WOYYZJPXRHNFGY-UHFFFAOYSA-N 0 3 338.451 4.324 50 0 EIAAHN C[C@@H](N[C@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 ZINC000529539800 1055867903 /nfs/dbraw/zinc/86/79/03/1055867903.db2.gz UVULMLKXJCFEHM-KDOFPFPSSA-N 0 3 344.405 4.390 50 0 EIAAHN FC(F)(F)c1ccc(CN2c3ccccc3N3CCCN=C23)cc1 ZINC000004710724 210255885 /nfs/dbraw/zinc/25/58/85/210255885.db2.gz VZANPBDHXSNYRN-UHFFFAOYSA-N 0 3 331.341 4.292 50 0 EIAAHN CC[C@H](C)N(Cc1cccnc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055074665 214269205 /nfs/dbraw/zinc/26/92/05/214269205.db2.gz OPLJGJXGJSOONA-INIZCTEOSA-N 0 3 336.435 4.297 50 0 EIAAHN Cc1nn(C(C)(C)C)c(C)c1CN(C)[C@H](C)Cc1cc(C)ccn1 ZINC000055385172 214315991 /nfs/dbraw/zinc/31/59/91/214315991.db2.gz IGFAFWUVQSDLJG-OAHLLOKOSA-N 0 3 328.504 4.021 50 0 EIAAHN COc1cc(CNCc2ccccc2C(F)(F)F)cc(OC)c1 ZINC000055429545 214323419 /nfs/dbraw/zinc/32/34/19/214323419.db2.gz XJTPRWCKMVHFDH-UHFFFAOYSA-N 0 3 325.330 4.012 50 0 EIAAHN C/C(=C\C(=O)Nc1ccccc1CN1CCCC1)c1ccccc1F ZINC000056396467 214374194 /nfs/dbraw/zinc/37/41/94/214374194.db2.gz NEKJFQDJOMFVGO-JQIJEIRASA-N 0 3 338.426 4.464 50 0 EIAAHN Cc1sc2ncnc(NC[C@H](c3ccccc3)N(C)C)c2c1C ZINC000003301302 210001923 /nfs/dbraw/zinc/00/19/23/210001923.db2.gz JBYBSZIEQWWITL-OAHLLOKOSA-N 0 3 326.469 4.023 50 0 EIAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1cc(Cl)ccc1F ZINC000040086942 213260571 /nfs/dbraw/zinc/26/05/71/213260571.db2.gz GYPSMHCIZCDYQM-UHFFFAOYSA-N 0 3 332.806 4.327 50 0 EIAAHN Oc1ccccc1N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000038397966 213208919 /nfs/dbraw/zinc/20/89/19/213208919.db2.gz ACAGROBGWBHGDW-UHFFFAOYSA-N 0 3 342.442 4.284 50 0 EIAAHN O[C@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000036096839 213063186 /nfs/dbraw/zinc/06/31/86/213063186.db2.gz DLYUBSNZMPDBKM-HSZRJFAPSA-N 0 3 331.459 4.292 50 0 EIAAHN CC(C)c1nccc(CN2CCCC[C@@H]2CCc2ccc(O)cc2)n1 ZINC000072137008 216024976 /nfs/dbraw/zinc/02/49/76/216024976.db2.gz PCTPXAJQJWXGPV-LJQANCHMSA-N 0 3 339.483 4.293 50 0 EIAAHN Cc1nc(CN2CCCC[C@H]2c2ccc(CN(C)C)cc2)cs1 ZINC000072146868 216033193 /nfs/dbraw/zinc/03/31/93/216033193.db2.gz RROFHRXDVGMTGJ-IBGZPJMESA-N 0 3 329.513 4.240 50 0 EIAAHN CN(CC[C@H]1CCCCO1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000023368404 212370370 /nfs/dbraw/zinc/37/03/70/212370370.db2.gz LGPATBOCBZMPAJ-QGZVFWFLSA-N 0 3 339.439 4.214 50 0 EIAAHN CCN(Cc1ccncc1)[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000022926600 212335583 /nfs/dbraw/zinc/33/55/83/212335583.db2.gz MQMJHJBSJFAGNI-NRFANRHFSA-N 0 3 348.494 4.049 50 0 EIAAHN NC[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 ZINC000021811801 212253546 /nfs/dbraw/zinc/25/35/46/212253546.db2.gz QZUWGSTWDIGMRY-CQSZACIVSA-N 0 3 327.280 4.113 50 0 EIAAHN CCc1c[nH]nc1[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000020598331 212150261 /nfs/dbraw/zinc/15/02/61/212150261.db2.gz LCBKOXJOBJWZMT-HNNXBMFYSA-N 0 3 337.389 4.371 50 0 EIAAHN CCCCN1C(=O)C2=C(CCCC2)[C@H]1N[C@@H](C)CCc1ccccc1 ZINC000019907711 212082108 /nfs/dbraw/zinc/08/21/08/212082108.db2.gz PILDCWFKZJVIIB-UWJYYQICSA-N 0 3 340.511 4.436 50 0 EIAAHN Cc1ccc(-c2n[nH]cc2CNC[C@H]2OCCc3ccccc32)cc1C ZINC000019867238 212077347 /nfs/dbraw/zinc/07/73/47/212077347.db2.gz XIUSHVSKSCLZTK-OAQYLSRUSA-N 0 3 347.462 4.097 50 0 EIAAHN CN1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019537100 212040633 /nfs/dbraw/zinc/04/06/33/212040633.db2.gz WAQSRGPKTFZYCC-UHFFFAOYSA-N 0 3 332.532 4.125 50 0 EIAAHN O[C@@H](CNCc1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000019200324 212004585 /nfs/dbraw/zinc/00/45/85/212004585.db2.gz ZQZCSQMTZGBWFG-SFHVURJKSA-N 0 3 327.811 4.423 50 0 EIAAHN O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000019144198 212001467 /nfs/dbraw/zinc/00/14/67/212001467.db2.gz DTWVFQMWENAJRN-GOSISDBHSA-N 0 3 339.866 4.402 50 0 EIAAHN CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016599303 211917613 /nfs/dbraw/zinc/91/76/13/211917613.db2.gz JWCUHSJXTXDQDA-MRXNPFEDSA-N 0 3 337.250 4.026 50 0 EIAAHN Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)CCCCCC3 ZINC000012324667 211348161 /nfs/dbraw/zinc/34/81/61/211348161.db2.gz XDAOHZSQMJZNDL-UHFFFAOYSA-N 0 3 334.467 4.338 50 0 EIAAHN Cc1c(C)n(Cc2cccnc2)c2nc3c(c(N)c12)CCCCCC3 ZINC000012324377 211347450 /nfs/dbraw/zinc/34/74/50/211347450.db2.gz WGULLWUUJYHJPW-UHFFFAOYSA-N 0 3 334.467 4.338 50 0 EIAAHN COCC[C@H]1CCCCN1Cc1nc(-c2ccccc2C)oc1C ZINC000012315296 211343373 /nfs/dbraw/zinc/34/33/73/211343373.db2.gz QZKLBYVMKOOGPT-QGZVFWFLSA-N 0 3 328.456 4.349 50 0 EIAAHN CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000012192925 211315539 /nfs/dbraw/zinc/31/55/39/211315539.db2.gz IGNYMMFIMJRHLT-UHFFFAOYSA-N 0 3 339.414 4.139 50 0 EIAAHN CC(C)Cc1c[nH]nc1[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000011789667 211248776 /nfs/dbraw/zinc/24/87/76/211248776.db2.gz BTCAZSBHECJVBP-QGZVFWFLSA-N 0 3 336.483 4.469 50 0 EIAAHN C[C@]1(NCc2cnn(-c3ccc(F)cc3)c2)CCCc2ccccc21 ZINC000095397861 218330950 /nfs/dbraw/zinc/33/09/50/218330950.db2.gz WZUFCTKSOZDLLX-NRFANRHFSA-N 0 3 335.426 4.353 50 0 EIAAHN CC(=O)Nc1cccc(CNCc2cc(Cl)cc3cccnc32)c1 ZINC000095418506 218358202 /nfs/dbraw/zinc/35/82/02/218358202.db2.gz CVUVAPRWRFTYCS-UHFFFAOYSA-N 0 3 339.826 4.136 50 0 EIAAHN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095419568 218359688 /nfs/dbraw/zinc/35/96/88/218359688.db2.gz SONTWINKMISDTL-JLTOFOAXSA-N 0 3 335.451 4.309 50 0 EIAAHN CC[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 ZINC000095419434 218359832 /nfs/dbraw/zinc/35/98/32/218359832.db2.gz YKLOBPSZXMXIHS-MGPUTAFESA-N 0 3 348.450 4.004 50 0 EIAAHN Cc1cc([C@H](C)NCc2ccc(Cn3ccnc3)cc2)c(C)s1 ZINC000095420150 218360567 /nfs/dbraw/zinc/36/05/67/218360567.db2.gz TUTAHXJJZZATQT-HNNXBMFYSA-N 0 3 325.481 4.461 50 0 EIAAHN O=C(Nc1nc2ccccc2s1)c1ccc(CN2CCCC2)cc1 ZINC000078269111 258065556 /nfs/dbraw/zinc/06/55/56/258065556.db2.gz BXAZJHANMUVNCG-UHFFFAOYSA-N 0 3 337.448 4.144 50 0 EIAAHN C[C@H]1CN(C)CCCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000299756310 258074724 /nfs/dbraw/zinc/07/47/24/258074724.db2.gz LLYLYNXRQQHOLD-HNNXBMFYSA-N 0 3 341.430 4.051 50 0 EIAAHN C[C@H](Cc1ccc(Br)cc1)N[C@H](C)c1nccs1 ZINC000086509029 564058248 /nfs/dbraw/zinc/05/82/48/564058248.db2.gz KFZGNWRZNDFOBI-GHMZBOCLSA-N 0 3 325.275 4.187 50 0 EIAAHN CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000000001624 563211356 /nfs/dbraw/zinc/21/13/56/563211356.db2.gz MXYUKLILVYORSK-HBMCJLEFSA-N 0 3 337.463 4.236 50 0 biogenic,world EIAAHN C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000000277201 563271044 /nfs/dbraw/zinc/27/10/44/563271044.db2.gz OQXFBZAEGKEXTG-MRXNPFEDSA-N 0 3 348.412 4.459 50 0 EIAAHN O=C(c1ccc(CN2CCCC2)cc1)c1cccc(Br)c1 ZINC000002514559 563435587 /nfs/dbraw/zinc/43/55/87/563435587.db2.gz FQYIACAPGNKMJT-UHFFFAOYSA-N 0 3 344.252 4.276 50 0 EIAAHN C[C@H](CCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003683591 563487539 /nfs/dbraw/zinc/48/75/39/563487539.db2.gz PZMZTAGLRGIETO-QGZVFWFLSA-N 0 3 328.887 4.483 50 0 EIAAHN FC(F)(F)c1cccc(N2CCN(CC3CCCCC3)CC2)c1 ZINC000004981069 563516959 /nfs/dbraw/zinc/51/69/59/563516959.db2.gz CWJKBOKSRNLEFS-UHFFFAOYSA-N 0 3 326.406 4.408 50 0 EIAAHN CN1CCC([C@H](O)c2ccccc2Sc2ccccc2F)CC1 ZINC000005525420 563536853 /nfs/dbraw/zinc/53/68/53/563536853.db2.gz GRKVHVAIJHJDTA-IBGZPJMESA-N 0 3 331.456 4.352 50 0 EIAAHN COc1cccc2c(=O)c(C[NH+](CC(C)C)CC(C)C)c(C)[n-]c12 ZINC000008700875 563635713 /nfs/dbraw/zinc/63/57/13/563635713.db2.gz CFPUREXLKMITAN-UHFFFAOYSA-N 0 3 330.472 4.371 50 0 biogenic EIAAHN CCc1ccccc1NC(=O)CNCCSc1ccc(C)c(C)c1 ZINC000032679565 563681575 /nfs/dbraw/zinc/68/15/75/563681575.db2.gz GUKKRHKKAKCHCY-UHFFFAOYSA-N 0 3 342.508 4.186 50 0 EIAAHN COC(=O)c1ccc(CN(C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000015370239 563783881 /nfs/dbraw/zinc/78/38/81/563783881.db2.gz ALBNLQQSLYPROP-UHFFFAOYSA-N 0 3 349.430 4.267 50 0 EIAAHN Clc1ccc(COc2cccc(CNC[C@H]3CCCO3)c2)cc1 ZINC000016399543 563810539 /nfs/dbraw/zinc/81/05/39/563810539.db2.gz MAHCHKDKEKHBON-LJQANCHMSA-N 0 3 331.843 4.188 50 0 EIAAHN CN(C)[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000016599341 563815758 /nfs/dbraw/zinc/81/57/58/563815758.db2.gz LOEHGLINQRDGFM-MRXNPFEDSA-N 0 3 337.250 4.026 50 0 EIAAHN Cc1cccc(CN2CCC(C(=O)NCCC3=CCCCC3)CC2)c1 ZINC000016606501 563817303 /nfs/dbraw/zinc/81/73/03/563817303.db2.gz LCEPOBLSRKEYSX-UHFFFAOYSA-N 0 3 340.511 4.214 50 0 EIAAHN Cc1ccc(C(C)C)c(OC[C@H](O)CN[C@@H](C)c2ccccc2)c1 ZINC000005968099 563866491 /nfs/dbraw/zinc/86/64/91/563866491.db2.gz ZDOYPOMEISNALF-PKOBYXMFSA-N 0 3 327.468 4.209 50 0 EIAAHN COc1cccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222508 563894851 /nfs/dbraw/zinc/89/48/51/563894851.db2.gz VTMURGWGJZTGJW-OAQYLSRUSA-N 0 3 347.462 4.107 50 0 EIAAHN Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662571 563898407 /nfs/dbraw/zinc/89/84/07/563898407.db2.gz TYMVPQCFKSWLKQ-SFHVURJKSA-N 0 3 342.508 4.404 50 0 EIAAHN CCOc1ccccc1CN1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000042484225 563924711 /nfs/dbraw/zinc/92/47/11/563924711.db2.gz VCJAUMOYJLFSEV-GOSISDBHSA-N 0 3 341.499 4.387 50 0 EIAAHN Clc1ccc(OCCNCc2ccccc2)c(Br)c1 ZINC000002823786 563932560 /nfs/dbraw/zinc/93/25/60/563932560.db2.gz YWFIICMURPDVQE-UHFFFAOYSA-N 0 3 340.648 4.271 50 0 EIAAHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000033040097 563933186 /nfs/dbraw/zinc/93/31/86/563933186.db2.gz FDAGOXUGRCZJLJ-STQMWFEESA-N 0 3 334.822 4.465 50 0 EIAAHN C[C@H](NCCSc1ccccc1F)c1ccc([S@@](C)=O)cc1 ZINC000095422370 563935110 /nfs/dbraw/zinc/93/51/10/563935110.db2.gz FPUVJCGXPANCRG-XMHCIUCPSA-N 0 3 337.485 4.006 50 0 EIAAHN Clc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1 ZINC000057354897 563935586 /nfs/dbraw/zinc/93/55/86/563935586.db2.gz ORTSOOMFCFDSQP-UHFFFAOYSA-N 0 3 328.799 4.164 50 0 EIAAHN O=C(Nc1cccc(Cl)c1)NC1CCN(Cc2cccs2)CC1 ZINC000057530826 563935738 /nfs/dbraw/zinc/93/57/38/563935738.db2.gz YKDWVXLDJRDJQF-UHFFFAOYSA-N 0 3 349.887 4.188 50 0 EIAAHN CC(C)C[C@@H](NC(=O)CN(C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000060367766 563935791 /nfs/dbraw/zinc/93/57/91/563935791.db2.gz FSONITRSWBUOPV-MRXNPFEDSA-N 0 3 344.421 4.249 50 0 EIAAHN C[C@H]1CCCN1Cc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000065385699 563959262 /nfs/dbraw/zinc/95/92/62/563959262.db2.gz GBFBXUZIJASNEH-INIZCTEOSA-N 0 3 345.446 4.471 50 0 EIAAHN CCc1ccc(CN2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)nc1 ZINC000065387359 563959387 /nfs/dbraw/zinc/95/93/87/563959387.db2.gz KVBLYPBQAPGCSX-FQEVSTJZSA-N 0 3 344.462 4.091 50 0 EIAAHN FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2c[nH]cn2)C1 ZINC000071639358 563964639 /nfs/dbraw/zinc/96/46/39/563964639.db2.gz RFOFOUQVOFJCTC-CQSZACIVSA-N 0 3 337.389 4.273 50 0 EIAAHN FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000071639358 563964640 /nfs/dbraw/zinc/96/46/40/563964640.db2.gz RFOFOUQVOFJCTC-CQSZACIVSA-N 0 3 337.389 4.273 50 0 EIAAHN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)cc1C)NCC2 ZINC000000034545 563967812 /nfs/dbraw/zinc/96/78/12/563967812.db2.gz XCIQZOZFZZVHLG-OAQYLSRUSA-N 0 3 325.452 4.336 50 0 EIAAHN Cc1cc(-c2nnc(CN[C@H](C)[C@@H](C)c3ccccc3)o2)c(C)o1 ZINC000097110001 563968018 /nfs/dbraw/zinc/96/80/18/563968018.db2.gz WLSVMDUXWMXXQJ-ZIAGYGMSSA-N 0 3 325.412 4.228 50 0 EIAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000077407996 563969503 /nfs/dbraw/zinc/96/95/03/563969503.db2.gz ONLSHIILBNWDOY-KRWDZBQOSA-N 0 3 328.481 4.177 50 0 EIAAHN COCCC[C@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000077456525 563969765 /nfs/dbraw/zinc/96/97/65/563969765.db2.gz SIDDZSXCBCLAFZ-QGZVFWFLSA-N 0 3 331.504 4.163 50 0 EIAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccs2)cc1 ZINC000077469991 563969847 /nfs/dbraw/zinc/96/98/47/563969847.db2.gz NHZPFAVJOMSYAJ-LJQANCHMSA-N 0 3 342.508 4.106 50 0 EIAAHN CCOc1ccc2nc(C)cc(Nc3ccc(C(=O)OC)cc3)c2c1 ZINC000000071883 563974405 /nfs/dbraw/zinc/97/44/05/563974405.db2.gz XQKFHGOIIFFBBZ-UHFFFAOYSA-N 0 3 336.391 4.472 50 0 EIAAHN Cc1cccc2[nH]c([C@H]3CCCN(Cc4cncn4C(C)C)C3)nc21 ZINC000097212974 563981420 /nfs/dbraw/zinc/98/14/20/563981420.db2.gz NVQFZQPJPDQMQM-INIZCTEOSA-N 0 3 337.471 4.028 50 0 EIAAHN Cc1cccc2nc([C@H]3CCCN(Cc4cncn4C(C)C)C3)[nH]c21 ZINC000097212974 563981421 /nfs/dbraw/zinc/98/14/21/563981421.db2.gz NVQFZQPJPDQMQM-INIZCTEOSA-N 0 3 337.471 4.028 50 0 EIAAHN COc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000000172201 563987573 /nfs/dbraw/zinc/98/75/73/563987573.db2.gz PCMKXACBKLWXOV-UHFFFAOYSA-N 0 3 325.330 4.012 50 0 EIAAHN CC(C)(C)C1CCC(OC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000000351993 563991564 /nfs/dbraw/zinc/99/15/64/563991564.db2.gz BTENAPPNXJUXRF-NYLDSWQDSA-N 0 3 345.527 4.027 50 0 EIAAHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN[C@H](C)c1ccccc1 ZINC000252438241 563997608 /nfs/dbraw/zinc/99/76/08/563997608.db2.gz JTFAPYUEBOLXAA-JBYOPCTKSA-N 0 3 333.516 4.176 50 0 EIAAHN c1ccc(CCN2CCN(c3c4c(cc5c3CCC5)CCC4)CC2)cc1 ZINC000005395055 564005899 /nfs/dbraw/zinc/00/58/99/564005899.db2.gz BERMKHNFBDQWLR-UHFFFAOYSA-N 0 3 346.518 4.029 50 0 EIAAHN Cc1cc(C(=O)NC[C@H](C)N2CCCCC2)sc1-c1ccccc1 ZINC000526052383 564007215 /nfs/dbraw/zinc/00/72/15/564007215.db2.gz GUNUPZINOXOFMF-INIZCTEOSA-N 0 3 342.508 4.328 50 0 EIAAHN COc1ccc(CNCc2ccc(OC)c3ccccc23)c(OC)c1 ZINC000000172170 564012168 /nfs/dbraw/zinc/01/21/68/564012168.db2.gz JHQZCGQCIWITRJ-UHFFFAOYSA-N 0 3 337.419 4.155 50 0 EIAAHN CN(CCCc1nc(-c2cccs2)no1)Cc1ccc(F)c(F)c1 ZINC000032760739 564036202 /nfs/dbraw/zinc/03/62/02/564036202.db2.gz AVTASEVBKHGQAD-UHFFFAOYSA-N 0 3 349.406 4.141 50 0 EIAAHN O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)s1 ZINC000033023433 564036379 /nfs/dbraw/zinc/03/63/79/564036379.db2.gz RAHQQVSVPKPCFN-UHFFFAOYSA-N 0 3 340.920 4.320 50 0 EIAAHN CO[C@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000240465948 564051744 /nfs/dbraw/zinc/05/17/44/564051744.db2.gz GBQRYXNVUHHKSJ-OAQYLSRUSA-N 0 3 325.452 4.055 50 0 EIAAHN C[C@H]1C[C@H](C)CN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000006008111 564057586 /nfs/dbraw/zinc/05/75/86/564057586.db2.gz YYTKDJBCMXAENE-STQMWFEESA-N 0 3 330.453 4.017 50 0 EIAAHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl ZINC000012553162 564059212 /nfs/dbraw/zinc/05/92/12/564059212.db2.gz DZPQCKKIYSLPAB-BZNIZROVSA-N 0 3 332.806 4.083 50 0 EIAAHN Cc1cc(-c2ccc(C(=O)N(C)C[C@@H]3CCCCN3C)cc2)cs1 ZINC000534585907 564061145 /nfs/dbraw/zinc/06/11/45/564061145.db2.gz ZUWGRYAEOREWEQ-IBGZPJMESA-N 0 3 342.508 4.280 50 0 EIAAHN Clc1cc(CN2CC[C@@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000084525545 564068482 /nfs/dbraw/zinc/06/84/82/564068482.db2.gz QRXYHRNAZWUYMO-MRXNPFEDSA-N 0 3 329.827 4.101 50 0 EIAAHN C[S@@](=O)c1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000085298487 564072422 /nfs/dbraw/zinc/07/24/22/564072422.db2.gz OUHROZZAPCETEG-DHLKQENFSA-N 0 3 349.499 4.498 50 0 EIAAHN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1csc2ccccc21 ZINC000085313460 564072675 /nfs/dbraw/zinc/07/26/75/564072675.db2.gz GIJUIGHJKVNOFQ-DMZKTXOQSA-N 0 3 329.490 4.490 50 0 EIAAHN C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001473417 564073698 /nfs/dbraw/zinc/07/36/98/564073698.db2.gz KFETYTDHVXYSQF-IUODEOHRSA-N 0 3 340.250 4.084 50 0 EIAAHN COc1cccc(OCCCCN2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624456 564094637 /nfs/dbraw/zinc/09/46/37/564094637.db2.gz ITNCHSZVTBOMMN-OAQYLSRUSA-N 0 3 340.467 4.476 50 0 biogenic EIAAHN Clc1cnn(C2CCN([C@H]3CCCOc4ccccc43)CC2)c1 ZINC000170602822 564109431 /nfs/dbraw/zinc/10/94/31/564109431.db2.gz UTHDZCOOWJAMKJ-KRWDZBQOSA-N 0 3 331.847 4.087 50 0 EIAAHN FC(F)(F)c1cc(N2CCN(C3CCCC3)CC2)c2ccccc2n1 ZINC000089866630 564114420 /nfs/dbraw/zinc/11/44/20/564114420.db2.gz HBGCYBOCVLEEKK-UHFFFAOYSA-N 0 3 349.400 4.318 50 0 EIAAHN CC(C)c1noc([C@H](C)N[C@@H](CN(C)Cc2ccccc2)C(C)C)n1 ZINC000252536907 564120579 /nfs/dbraw/zinc/12/05/79/564120579.db2.gz JTCSSKWSNMLIMV-WMZOPIPTSA-N 0 3 344.503 4.000 50 0 EIAAHN COc1ccccc1C[C@H](C)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000170669661 564121292 /nfs/dbraw/zinc/12/12/92/564121292.db2.gz FRCBQYITQVKREN-YWZLYKJASA-N 0 3 337.467 4.489 50 0 EIAAHN Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000007850041 564124250 /nfs/dbraw/zinc/12/42/50/564124250.db2.gz JAXMCNBGGCIIKU-UHFFFAOYSA-N 0 3 336.479 4.219 50 0 EIAAHN CC(C)[C@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 ZINC000095422717 564140135 /nfs/dbraw/zinc/14/01/35/564140135.db2.gz HAKFTDFJQANIPA-BEFAXECRSA-N 0 3 339.439 4.086 50 0 EIAAHN CCOc1cccc2cc([C@H](C)NCC3([C@@H](O)C(C)C)CC3)oc21 ZINC000095463508 564140928 /nfs/dbraw/zinc/14/09/28/564140928.db2.gz VXEZLIGFOPPMRK-LIRRHRJNSA-N 0 3 331.456 4.279 50 0 EIAAHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccccc1C(C)(C)C ZINC000095467011 564141106 /nfs/dbraw/zinc/14/11/06/564141106.db2.gz XXAQJJMKSNYJEI-OAHLLOKOSA-N 0 3 331.504 4.178 50 0 EIAAHN CCc1ccc([C@@H](NCC(=O)Nc2ccc(Cl)cn2)C(C)C)cc1 ZINC000057322793 564153616 /nfs/dbraw/zinc/15/36/16/564153616.db2.gz UIENZIZHUFELDI-IBGZPJMESA-N 0 3 345.874 4.223 50 0 EIAAHN Cc1ccc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000058068771 564157395 /nfs/dbraw/zinc/15/73/95/564157395.db2.gz DAAXJELPQXBUED-UHFFFAOYSA-N 0 3 349.400 4.121 50 0 EIAAHN COCc1cccc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1 ZINC000031620766 564159587 /nfs/dbraw/zinc/15/95/87/564159587.db2.gz QIWDRQVYJUZUHO-UHFFFAOYSA-N 0 3 338.451 4.071 50 0 EIAAHN COc1ccc([C@]2(CCNCc3ccco3)CCOC(C)(C)C2)cc1 ZINC000032124295 564160925 /nfs/dbraw/zinc/16/09/25/564160925.db2.gz BHHCRSWSEUUBQK-OAQYLSRUSA-N 0 3 343.467 4.295 50 0 biogenic EIAAHN CCCC[C@H](C(=O)Nc1ccc2c(c1)CCCCO2)N(CC)CC ZINC000004311085 564161644 /nfs/dbraw/zinc/16/16/44/564161644.db2.gz BHYBAAIXRVBIQG-GOSISDBHSA-N 0 3 332.488 4.241 50 0 EIAAHN CC(C)[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000008003820 564162066 /nfs/dbraw/zinc/16/20/66/564162066.db2.gz OADWDRGVDFXMNN-GOSISDBHSA-N 0 3 336.357 4.029 50 0 EIAAHN COc1ccc(OCCCCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000008742754 564167198 /nfs/dbraw/zinc/16/71/98/564167198.db2.gz UFWYUIILNHQFIM-OAQYLSRUSA-N 0 3 340.467 4.476 50 0 biogenic EIAAHN CN1CCC(Nc2ccccc2NC(=O)c2ccccc2Cl)CC1 ZINC000069848358 564172523 /nfs/dbraw/zinc/17/25/23/564172523.db2.gz KSWULLHBNHIAIZ-UHFFFAOYSA-N 0 3 343.858 4.098 50 0 EIAAHN Oc1cccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000069869574 564172546 /nfs/dbraw/zinc/17/25/46/564172546.db2.gz AFPBXHWVZHTJCS-UHFFFAOYSA-N 0 3 343.430 4.080 50 0 EIAAHN CCS(=O)(=O)c1ccc(-c2ccc([C@@H](C)N3CCCC3)cc2)s1 ZINC000426632853 568418829 /nfs/dbraw/zinc/41/88/29/568418829.db2.gz IOVORRUBBXYYDH-CQSZACIVSA-N 0 3 349.521 4.366 50 0 EIAAHN CCOC1CC2(C1)CCN(Cc1ccc(Oc3ccccc3)o1)C2 ZINC000809707813 1040011723 /nfs/dbraw/zinc/01/17/23/1040011723.db2.gz PEDBKPMMMOICNJ-UHFFFAOYSA-N 0 3 327.424 4.463 50 0 EIAAHN Cc1nc(CO[C@H]2CCN(c3ccnc4ccc(C)cc43)C2)cs1 ZINC000585083265 1049397209 /nfs/dbraw/zinc/39/72/09/1049397209.db2.gz JSTOOHDCSMVOSP-INIZCTEOSA-N 0 3 339.464 4.104 50 0 EIAAHN Cc1nc(CO[C@@H]2CCN(c3ccnc4ccc(C)cc43)C2)cs1 ZINC000585083266 1049397889 /nfs/dbraw/zinc/39/78/89/1049397889.db2.gz JSTOOHDCSMVOSP-MRXNPFEDSA-N 0 3 339.464 4.104 50 0 EIAAHN CC(C)c1ccc(CN(C(=O)[C@@H]2CCCCCN2C)C2CC2)cc1 ZINC000952963502 1049680670 /nfs/dbraw/zinc/68/06/70/1049680670.db2.gz KQBRMGMAOSPPTD-FQEVSTJZSA-N 0 3 328.500 4.175 50 0 EIAAHN CC(C)N1C(=O)C2(CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000581801078 1060006173 /nfs/dbraw/zinc/00/61/73/1060006173.db2.gz VKPOOTFECXLXBB-OAQYLSRUSA-N 0 3 348.490 4.261 50 0 EIAAHN Cc1csc2nc(CN[C@H](c3cccs3)C(C)(C)C)cc(=O)n12 ZINC000054417291 214237746 /nfs/dbraw/zinc/23/77/46/214237746.db2.gz MIJGQYYIESBNNE-OAHLLOKOSA-N 0 3 347.509 4.003 50 0 EIAAHN CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000044935311 213678260 /nfs/dbraw/zinc/67/82/60/213678260.db2.gz YOXQVQVQZXMEFE-NRFANRHFSA-N 0 3 336.479 4.166 50 0 EIAAHN COc1ccc(Oc2ccc(CN3CCCC3)c(OC)c2)cc1C ZINC000067677286 215182844 /nfs/dbraw/zinc/18/28/44/215182844.db2.gz MGSQOQKFUXEJHJ-UHFFFAOYSA-N 0 3 327.424 4.400 50 0 EIAAHN COc1ccc(CN2CCCC2)cc1Oc1cccc(-n2cccn2)c1 ZINC000067713242 215191268 /nfs/dbraw/zinc/19/12/68/215191268.db2.gz DUEMFPVGZPQQDO-UHFFFAOYSA-N 0 3 349.434 4.269 50 0 EIAAHN CC(C)c1cc(C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)[nH]n1 ZINC000067805233 215218496 /nfs/dbraw/zinc/21/84/96/215218496.db2.gz IXUCLWDDIUDIHS-UHFFFAOYSA-N 0 3 349.482 4.303 50 0 EIAAHN CC(C)c1cc(C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)n[nH]1 ZINC000067805233 215218498 /nfs/dbraw/zinc/21/84/98/215218498.db2.gz IXUCLWDDIUDIHS-UHFFFAOYSA-N 0 3 349.482 4.303 50 0 EIAAHN COc1cc(CN2CCCC2)ccc1Oc1cccc(NC(C)=O)c1 ZINC000067974609 215264292 /nfs/dbraw/zinc/26/42/92/215264292.db2.gz HDQRGQDEALDLJM-UHFFFAOYSA-N 0 3 340.423 4.042 50 0 EIAAHN Cc1ccc(-c2n[nH]cc2CNCc2cccc(C(F)(F)F)c2)o1 ZINC000040088650 213261210 /nfs/dbraw/zinc/26/12/10/213261210.db2.gz OYSAGXMKYLXJPZ-UHFFFAOYSA-N 0 3 335.329 4.287 50 0 EIAAHN CC[C@H](C)CN1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000039364619 213234498 /nfs/dbraw/zinc/23/44/98/213234498.db2.gz ZFTDCRKCBQHVNS-LAUBAEHRSA-N 0 3 339.479 4.203 50 0 EIAAHN O[C@@H](Cc1ccccc1)CN(Cc1cccs1)Cc1ccccc1 ZINC000036103323 213066646 /nfs/dbraw/zinc/06/66/46/213066646.db2.gz ZWBUQOVISQFBCK-FQEVSTJZSA-N 0 3 337.488 4.354 50 0 EIAAHN CC(C)CCN(Cc1cccs1)C[C@H](O)COc1ccccc1 ZINC000036096649 213064056 /nfs/dbraw/zinc/06/40/56/213064056.db2.gz LLSXYVHTNHJGRY-KRWDZBQOSA-N 0 3 333.497 4.036 50 0 EIAAHN c1coc(-c2ccccc2CN2CCCN(Cc3cccnc3)CC2)c1 ZINC000072169538 216060897 /nfs/dbraw/zinc/06/08/97/216060897.db2.gz JKJYGQAEEJXVOU-UHFFFAOYSA-N 0 3 347.462 4.050 50 0 EIAAHN Clc1cccc([C@H]2CCN(Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000216459871 241196028 /nfs/dbraw/zinc/19/60/28/241196028.db2.gz VMQCEJRXCPVXPR-HNNXBMFYSA-N 0 3 347.915 4.386 50 0 EIAAHN Cc1cc2c(ncnc2N[C@H](C)[C@@H](c2ccccc2)N(C)C)s1 ZINC000225533055 241914474 /nfs/dbraw/zinc/91/44/74/241914474.db2.gz GIMJXPDIWVJETJ-CJNGLKHVSA-N 0 3 326.469 4.103 50 0 EIAAHN Cc1ccsc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000019740381 212060459 /nfs/dbraw/zinc/06/04/59/212060459.db2.gz DNNAWFJBEDXOLD-UHFFFAOYSA-N 0 3 333.407 4.357 50 0 EIAAHN COc1ccc(CN2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000019633770 212052843 /nfs/dbraw/zinc/05/28/43/212052843.db2.gz YLAVJCFQTLTLBE-UHFFFAOYSA-N 0 3 346.474 4.166 50 0 EIAAHN Cc1cccc(CN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019361436 212021302 /nfs/dbraw/zinc/02/13/02/212021302.db2.gz GVVKSSKZVJHJNU-UHFFFAOYSA-N 0 3 330.475 4.466 50 0 EIAAHN O=C(c1cccc(Cl)c1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000019144201 212001958 /nfs/dbraw/zinc/00/19/58/212001958.db2.gz DTWVFQMWENAJRN-SFHVURJKSA-N 0 3 339.866 4.402 50 0 EIAAHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000012676969 211432537 /nfs/dbraw/zinc/43/25/37/211432537.db2.gz DPYLJPSTHMKXIE-KZULUSFZSA-N 0 3 330.378 4.033 50 0 EIAAHN c1[nH]nc(-c2ccccc2)c1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000012307169 211341116 /nfs/dbraw/zinc/34/11/16/211341116.db2.gz UKKIWYLMHUAJLL-HXUWFJFHSA-N 0 3 332.451 4.153 50 0 EIAAHN Cc1ccc(C)c(CN2CCC[C@@](CO)(Cc3ccccc3F)C2)c1 ZINC000012226663 211324947 /nfs/dbraw/zinc/32/49/47/211324947.db2.gz RNLCMDYIFTZQMB-JOCHJYFZSA-N 0 3 341.470 4.260 50 0 EIAAHN CN(Cc1ccc(C(N)=O)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373418 211214849 /nfs/dbraw/zinc/21/48/49/211214849.db2.gz WJCSORZZMVBSBA-OAQYLSRUSA-N 0 3 348.421 4.146 50 0 EIAAHN COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000010351351 211167398 /nfs/dbraw/zinc/16/73/98/211167398.db2.gz XWHIIZYNRPQHRQ-QRWLVFNGSA-N 0 3 338.451 4.072 50 0 EIAAHN O=C(Nc1ccc([C@@H]2NCCc3sccc32)cc1)c1ccccc1 ZINC000008855253 211011995 /nfs/dbraw/zinc/01/19/95/211011995.db2.gz KQCJVQATUOVCLS-IBGZPJMESA-N 0 3 334.444 4.236 50 0 EIAAHN O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)Nc1ccccc1 ZINC000008862969 211011629 /nfs/dbraw/zinc/01/16/29/211011629.db2.gz DFMOPFNYPCFQEC-SFHVURJKSA-N 0 3 343.496 4.487 50 0 EIAAHN Cc1ccc([C@H](C)NCc2ccc(CN3CCCC3=O)cc2)cc1C ZINC000095420651 218361358 /nfs/dbraw/zinc/36/13/58/218361358.db2.gz MXNDPJGQMIBZRQ-SFHVURJKSA-N 0 3 336.479 4.277 50 0 EIAAHN CCCN1CCC(NC(=S)Nc2cccc3ccccc32)CC1 ZINC000005041486 210371500 /nfs/dbraw/zinc/37/15/00/210371500.db2.gz MEERTACSIUUTDT-UHFFFAOYSA-N 0 3 327.497 4.001 50 0 EIAAHN COc1cc(CNCc2cccc3ccccc32)cc(OC)c1OC ZINC000005005701 210359094 /nfs/dbraw/zinc/35/90/94/210359094.db2.gz LDGLROHFOYNQJH-UHFFFAOYSA-N 0 3 337.419 4.155 50 0 EIAAHN O=C(Nc1cccc2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000004949606 210337983 /nfs/dbraw/zinc/33/79/83/210337983.db2.gz QIJSXYUPAJELFZ-UHFFFAOYSA-N 0 3 337.467 4.322 50 0 EIAAHN COc1ccc(Oc2ccc3c(c2)c2c4n3CCN[C@@H]4CCC2)cc1 ZINC000004817340 210285767 /nfs/dbraw/zinc/28/57/67/210285767.db2.gz LTMIZKVXZVNXNW-LJQANCHMSA-N 0 3 334.419 4.423 50 0 EIAAHN CCc1c2ccccc2[nH]c1C(=O)N(C)[C@@H](CN(C)C)c1ccccc1 ZINC000097578491 219035980 /nfs/dbraw/zinc/03/59/80/219035980.db2.gz IAKWOOJZAXYUCI-FQEVSTJZSA-N 0 3 349.478 4.105 50 0 EIAAHN CCOc1cc(-c2csc3ccccc23)cc2c1OCCNC2 ZINC000299772193 258084367 /nfs/dbraw/zinc/08/43/67/258084367.db2.gz ZVILDQRNXXWIPB-UHFFFAOYSA-N 0 3 325.433 4.449 50 0 EIAAHN Clc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000053050360 132185878 /nfs/dbraw/zinc/18/58/78/132185878.db2.gz NRWWWLAGZMNIDV-UHFFFAOYSA-N 0 3 325.843 4.144 50 0 EIAAHN CN1CCC(O[C@@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000006638539 563575889 /nfs/dbraw/zinc/57/58/89/563575889.db2.gz YOAORJGYOFRIRQ-HXUWFJFHSA-N 0 3 325.477 4.493 50 0 EIAAHN Cc1c([C@@H](C)NCc2ccccc2)cnn1-c1ccc(F)cc1F ZINC000012703818 563667998 /nfs/dbraw/zinc/66/79/98/563667998.db2.gz GYDKQJNBZQMVSF-CYBMUJFWSA-N 0 3 327.378 4.310 50 0 EIAAHN OC[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccc2F)C1 ZINC000012714082 563668661 /nfs/dbraw/zinc/66/86/61/563668661.db2.gz CDUBNQKRKHMBBP-FQEVSTJZSA-N 0 3 347.861 4.296 50 0 EIAAHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000032764928 563729568 /nfs/dbraw/zinc/72/95/68/563729568.db2.gz QVIIFNOYXMDQEN-YADHBBJMSA-N 0 3 348.490 4.060 50 0 EIAAHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000032764933 563729610 /nfs/dbraw/zinc/72/96/10/563729610.db2.gz QVIIFNOYXMDQEN-VXKWHMMOSA-N 0 3 348.490 4.060 50 0 EIAAHN CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000014180148 563747458 /nfs/dbraw/zinc/74/74/58/563747458.db2.gz DJVKTDDORGVGFE-INIZCTEOSA-N 0 3 337.250 4.026 50 0 EIAAHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F ZINC000032851136 563762712 /nfs/dbraw/zinc/76/27/12/563762712.db2.gz HFLSHCPPMBBRGF-BZNIZROVSA-N 0 3 332.806 4.083 50 0 EIAAHN CSc1ccc(Cl)c(C(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000015140300 563779157 /nfs/dbraw/zinc/77/91/57/563779157.db2.gz IHRPPAQSCBLBNU-UHFFFAOYSA-N 0 3 348.899 4.054 50 0 EIAAHN Cc1ccc(Cl)cc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000017070674 563833259 /nfs/dbraw/zinc/83/32/59/563833259.db2.gz YAEMMARRCSDQQO-UHFFFAOYSA-N 0 3 335.879 4.131 50 0 EIAAHN Cc1c(C(=O)N[C@H](CC(C)C)CN(C)C)oc2c1c(C)ccc2C ZINC000072026501 563860518 /nfs/dbraw/zinc/86/05/18/563860518.db2.gz AYMKEAVRSGMEKX-MRXNPFEDSA-N 0 3 330.472 4.064 50 0 EIAAHN Cc1c(C(=O)N[C@@H](CC(C)C)CN(C)C)oc2c1c(C)ccc2C ZINC000072026500 563860546 /nfs/dbraw/zinc/86/05/46/563860546.db2.gz AYMKEAVRSGMEKX-INIZCTEOSA-N 0 3 330.472 4.064 50 0 EIAAHN CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027741258 563899373 /nfs/dbraw/zinc/89/93/73/563899373.db2.gz UGKNKMKDOLJJDF-FQEVSTJZSA-N 0 3 330.516 4.465 50 0 EIAAHN C[C@H](CCc1ccc(O)cc1)NCc1ccccc1Br ZINC000023280231 563906311 /nfs/dbraw/zinc/90/63/11/563906311.db2.gz GPCNSULUIGMSGF-CYBMUJFWSA-N 0 3 334.257 4.266 50 0 EIAAHN CCCN(Cc1ccccc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018692 563914759 /nfs/dbraw/zinc/91/47/59/563914759.db2.gz JAPPIYUVSFDJGF-UHFFFAOYSA-N 0 3 337.419 4.214 50 0 EIAAHN COc1cc(OC)c(CN(C)C2CCCCC2)cc1Br ZINC000023282154 563919389 /nfs/dbraw/zinc/91/93/89/563919389.db2.gz LRSYZDQNMLCCCN-UHFFFAOYSA-N 0 3 342.277 4.231 50 0 EIAAHN c1ccc(Cc2noc(CN3CCC[C@@H]3C3CCCCC3)n2)cc1 ZINC000058209046 563939842 /nfs/dbraw/zinc/93/98/42/563939842.db2.gz CDFVESZUEWPTFV-GOSISDBHSA-N 0 3 325.456 4.205 50 0 EIAAHN C[C@@H](c1ccc(F)cc1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000058391948 563944502 /nfs/dbraw/zinc/94/45/02/563944502.db2.gz KHKOKUQVFXDINV-HNNXBMFYSA-N 0 3 332.463 4.048 50 0 EIAAHN CC[C@@H](C)N(Cc1cn(C(C)=O)c2ccccc12)Cc1cccnc1 ZINC000063846914 563956185 /nfs/dbraw/zinc/95/61/85/563956185.db2.gz PTTZELQHIXMVPC-MRXNPFEDSA-N 0 3 335.451 4.497 50 0 EIAAHN COc1cccc([C@H]2CCN2CCC(=O)Nc2cc(C)ccc2C)c1 ZINC000065461735 563961156 /nfs/dbraw/zinc/96/11/56/563961156.db2.gz YXQXOYIYJSFEIK-HXUWFJFHSA-N 0 3 338.451 4.088 50 0 EIAAHN CO[C@@H](CNCc1cn(-c2ccccc2)nc1C(C)C)c1ccccc1 ZINC000060528554 563964571 /nfs/dbraw/zinc/96/45/71/563964571.db2.gz NSLQESVKPRZTRQ-NRFANRHFSA-N 0 3 349.478 4.473 50 0 EIAAHN CCc1nc(C)sc1CN1CCC(c2nccn2CC2CC2)CC1 ZINC000082108076 563972326 /nfs/dbraw/zinc/97/23/26/563972326.db2.gz KUAAWEBQLUIFKD-UHFFFAOYSA-N 0 3 344.528 4.000 50 0 EIAAHN Cc1c(Cl)ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000016247456 563976224 /nfs/dbraw/zinc/97/62/24/563976224.db2.gz PSYQTMZSCPLXOX-OKILXGFUSA-N 0 3 325.880 4.225 50 0 EIAAHN Cc1ccc(NC(=S)N(CCN(C)C)[C@@H](C)c2ccco2)c(C)c1 ZINC000000263804 563989833 /nfs/dbraw/zinc/98/98/33/563989833.db2.gz XNCRMZIYHBAZGF-INIZCTEOSA-N 0 3 345.512 4.218 50 0 EIAAHN Cc1ccc(-c2nc3ccccc3c(N(C)C3CCN(C)CC3)n2)cc1 ZINC000000339585 563991322 /nfs/dbraw/zinc/99/13/22/563991322.db2.gz ZOXGTPAJSZQQQL-UHFFFAOYSA-N 0 3 346.478 4.136 50 0 EIAAHN COCCNCc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247827259 563996404 /nfs/dbraw/zinc/99/64/04/563996404.db2.gz GELYEOAWLKVIIP-UHFFFAOYSA-N 0 3 328.843 4.079 50 0 EIAAHN COc1cc(Br)c(CN[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000000183488 564012151 /nfs/dbraw/zinc/01/21/51/564012151.db2.gz UCXXVXIRWXGCGZ-SMDDNHRTSA-N 0 3 342.277 4.135 50 0 EIAAHN CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016599302 564024648 /nfs/dbraw/zinc/02/46/48/564024648.db2.gz JWCUHSJXTXDQDA-INIZCTEOSA-N 0 3 337.250 4.026 50 0 EIAAHN C[C@@H](Cc1ccc(Br)cc1)N[C@@H](C)c1nccs1 ZINC000086509023 564058279 /nfs/dbraw/zinc/05/82/79/564058279.db2.gz KFZGNWRZNDFOBI-QWRGUYRKSA-N 0 3 325.275 4.187 50 0 EIAAHN CCCCN(Cc1cccc(Cl)c1)C(=O)c1cccc(CN)c1 ZINC000534649372 564061514 /nfs/dbraw/zinc/06/15/14/564061514.db2.gz TURKVVROSPJPIK-UHFFFAOYSA-N 0 3 330.859 4.241 50 0 EIAAHN c1csc([C@@H](CNc2ncnc3sccc32)N2CCCC2)c1 ZINC000012747945 564065995 /nfs/dbraw/zinc/06/59/95/564065995.db2.gz QIXMDIUHESGGMI-CYBMUJFWSA-N 0 3 330.482 4.002 50 0 EIAAHN Cc1ccc(C(C)C)c(OC[C@H](O)CN[C@H](C)c2ccccc2)c1 ZINC000005968100 564072766 /nfs/dbraw/zinc/07/27/66/564072766.db2.gz ZDOYPOMEISNALF-IEBWSBKVSA-N 0 3 327.468 4.209 50 0 EIAAHN CCCCOCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000075094093 564079915 /nfs/dbraw/zinc/07/99/15/564079915.db2.gz ILDCVAOPVJYBCL-UHFFFAOYSA-N 0 3 336.863 4.477 50 0 EIAAHN Nc1ccnc(-c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000426405202 564093642 /nfs/dbraw/zinc/09/36/42/564093642.db2.gz WSTNQKLQAGRYIR-UHFFFAOYSA-N 0 3 347.462 4.029 50 0 EIAAHN CC(C)Oc1ccc(OCCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000006624463 564094596 /nfs/dbraw/zinc/09/45/96/564094596.db2.gz WFGYKJPBHDEMPA-NRFANRHFSA-N 0 3 340.467 4.475 50 0 biogenic EIAAHN CC(C)Oc1ccc(OCCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006624462 564094651 /nfs/dbraw/zinc/09/46/51/564094651.db2.gz WFGYKJPBHDEMPA-OAQYLSRUSA-N 0 3 340.467 4.475 50 0 biogenic EIAAHN COc1ccc(-c2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)cc1OC ZINC000007001498 564102987 /nfs/dbraw/zinc/10/29/87/564102987.db2.gz HZMYFGMYYPWYMU-OKILXGFUSA-N 0 3 346.496 4.305 50 0 EIAAHN CC(C)c1noc(CNc2cccc3c2CN([C@H](C)C(C)C)C3)n1 ZINC000065501796 564106616 /nfs/dbraw/zinc/10/66/16/564106616.db2.gz KDBVXYBDUYQOQV-CQSZACIVSA-N 0 3 328.460 4.165 50 0 EIAAHN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(Br)o1 ZINC000170615552 564109974 /nfs/dbraw/zinc/10/99/74/564109974.db2.gz UOLMUDGBXQRYMQ-DTWKUNHWSA-N 0 3 327.222 4.101 50 0 EIAAHN CCOC(=O)c1c(CN(C)[C@H]2CCC[C@@H]2SC)oc2ccccc21 ZINC000076089749 564115611 /nfs/dbraw/zinc/11/56/11/564115611.db2.gz HCEUSORQMVIKQK-YOEHRIQHSA-N 0 3 347.480 4.325 50 0 EIAAHN C[C@H](N[C@@H]1CCc2c1cc(Br)cc2F)c1ccncc1 ZINC000095967101 564143005 /nfs/dbraw/zinc/14/30/05/564143005.db2.gz HASZEFNXAZPMFZ-MGPLVRAMSA-N 0 3 335.220 4.321 50 0 EIAAHN CC1CCC(N(Cc2nnc(C3CCC3)o2)C2CCC(O)CC2)CC1 ZINC000096486851 564148680 /nfs/dbraw/zinc/14/86/80/564148680.db2.gz NNZKLCYFFCYETG-UHFFFAOYSA-N 0 3 347.503 4.021 50 0 EIAAHN Cn1cc(-c2cccc(CN[C@H]3CCCNc4ccccc43)c2)cn1 ZINC000225576667 564149776 /nfs/dbraw/zinc/14/97/76/564149776.db2.gz RHVKSNUBUGGXEP-NRFANRHFSA-N 0 3 332.451 4.124 50 0 EIAAHN N=C1c2ccccc2CN1c1ccc(N2Cc3ccccc3C2=N)cc1 ZINC000003173528 564155642 /nfs/dbraw/zinc/15/56/42/564155642.db2.gz TYLCQPNHELCHTL-UHFFFAOYSA-N 0 3 338.414 4.378 50 0 EIAAHN Cc1ccc([C@H](C(=O)NC2CCCCC2)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000058012654 564157211 /nfs/dbraw/zinc/15/72/11/564157211.db2.gz VDERFUJMNKLXHF-BBTUJRGHSA-N 0 3 342.527 4.463 50 0 EIAAHN CCN(CC)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000031992897 564160392 /nfs/dbraw/zinc/16/03/92/564160392.db2.gz ZQXNQTAQCNUSFZ-MRXNPFEDSA-N 0 3 342.464 4.307 50 0 EIAAHN CC1(C)C[C@H](N[C@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 ZINC000032124144 564160902 /nfs/dbraw/zinc/16/09/02/564160902.db2.gz UNXPLMJNVBBABN-YLJYHZDGSA-N 0 3 339.435 4.052 50 0 biogenic EIAAHN Cc1cc(CN[C@H](C)c2ccncc2)c(C)n1-c1ccnn1C(C)C ZINC000007985281 564161827 /nfs/dbraw/zinc/16/18/27/564161827.db2.gz DXTGKGHPWAFTDC-MRXNPFEDSA-N 0 3 337.471 4.117 50 0 EIAAHN Cc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000008184964 564163398 /nfs/dbraw/zinc/16/33/98/564163398.db2.gz SXDKLWCNDGLUQF-MRXNPFEDSA-N 0 3 329.469 4.015 50 0 EIAAHN CC[C@@H](c1ccc(OC)cc1)N(C)Cc1cc(-c2cccnc2)no1 ZINC000252496808 1034266154 /nfs/dbraw/zinc/26/61/54/1034266154.db2.gz PSDDNZCWUIFYMY-FQEVSTJZSA-N 0 3 337.423 4.328 50 0 EIAAHN Cc1cccc(-c2ncc(CNCc3cccc4[nH]ccc43)cn2)c1 ZINC000055042152 214266616 /nfs/dbraw/zinc/26/66/16/214266616.db2.gz VCAZRFWHVBOBPK-UHFFFAOYSA-N 0 3 328.419 4.223 50 0 EIAAHN CCCN(CCC)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000004144457 210131977 /nfs/dbraw/zinc/13/19/77/210131977.db2.gz VGWHYDHPBLEXST-FQEVSTJZSA-N 0 3 340.467 4.497 50 0 EIAAHN CCCc1nc2ccccc2c(NC(=O)CNC(C)(C)C)c1CC ZINC000004043566 210108073 /nfs/dbraw/zinc/10/80/73/210108073.db2.gz XJKGLHXLPKXIDN-UHFFFAOYSA-N 0 3 327.472 4.076 50 0 EIAAHN Cc1ccc(CN[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003339036 210012451 /nfs/dbraw/zinc/01/24/51/210012451.db2.gz PMFRQAKGJWDBHX-CYBMUJFWSA-N 0 3 336.357 4.131 50 0 EIAAHN Cn1cc(CCCN2CCc3sccc3[C@@H]2c2cccs2)cn1 ZINC000040151483 213273529 /nfs/dbraw/zinc/27/35/29/213273529.db2.gz VZJKLSMYFVYJSU-GOSISDBHSA-N 0 3 343.521 4.123 50 0 EIAAHN CN1C[C@@]2(CCCN(Cc3ccc(C4CCCC4)s3)CC2)OC1=O ZINC000072125643 216016186 /nfs/dbraw/zinc/01/61/86/216016186.db2.gz UAXBPLQNRDROHP-IBGZPJMESA-N 0 3 348.512 4.212 50 0 EIAAHN c1ccc(C2(c3ccccc3)C[C@@H]2CN2CC(c3ccncc3)C2)cc1 ZINC000072142955 216027338 /nfs/dbraw/zinc/02/73/38/216027338.db2.gz VZNZERIOBMILGO-HSZRJFAPSA-N 0 3 340.470 4.487 50 0 EIAAHN CC(C)=CCC/C(C)=C/C[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000072142935 216027442 /nfs/dbraw/zinc/02/74/42/216027442.db2.gz XOSGBUQDCWJRQN-GANRHZMWSA-N 0 3 329.488 4.363 50 0 EIAAHN CC(C)=CCC/C(C)=C/C[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000072142935 216027444 /nfs/dbraw/zinc/02/74/44/216027444.db2.gz XOSGBUQDCWJRQN-GANRHZMWSA-N 0 3 329.488 4.363 50 0 EIAAHN Fc1ccc(CN2CCCN(Cc3ccc4ccccc4n3)CC2)cc1 ZINC000072131934 216021256 /nfs/dbraw/zinc/02/12/56/216021256.db2.gz RBQJKSHLBQANBW-UHFFFAOYSA-N 0 3 349.453 4.082 50 0 EIAAHN c1ccc(C2(c3ccccc3)C[C@@H]2CN2CC(c3ccccn3)C2)cc1 ZINC000072152882 216040565 /nfs/dbraw/zinc/04/05/65/216040565.db2.gz UXKKMGNGWMFCSX-JOCHJYFZSA-N 0 3 340.470 4.487 50 0 EIAAHN CC(=O)Nc1cccc(-n2ccnc2-c2ccc([C@H](C)N(C)C)cc2)c1 ZINC000072153093 216042450 /nfs/dbraw/zinc/04/24/50/216042450.db2.gz RVDBQXVVNKSCEN-HNNXBMFYSA-N 0 3 348.450 4.120 50 0 EIAAHN CSc1ccccc1CN1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000072433838 216228703 /nfs/dbraw/zinc/22/87/03/216228703.db2.gz HWEAOTNNINVMFR-FQEVSTJZSA-N 0 3 341.520 4.224 50 0 EIAAHN CCn1ccc2ccc(CN3CCN(C)[C@H](c4ccccc4)C3)cc21 ZINC000215700098 241139831 /nfs/dbraw/zinc/13/98/31/241139831.db2.gz NGCFKIXPXHBZDW-QFIPXVFZSA-N 0 3 333.479 4.150 50 0 EIAAHN Cn1ccc2cc(CN3CCC([C@H](O)c4cccs4)CC3)ccc21 ZINC000216113261 241167500 /nfs/dbraw/zinc/16/75/00/241167500.db2.gz VDZILAYETSUTRJ-FQEVSTJZSA-N 0 3 340.492 4.185 50 0 EIAAHN Cc1sc2[n-]c([C@H](C)[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000216230616 241173959 /nfs/dbraw/zinc/17/39/59/241173959.db2.gz ARUUIBKLJBLXSB-IUCKATPISA-N 0 3 333.501 4.077 50 0 EIAAHN c1cnn(Cc2ccccc2CN2CCCC[C@@H]2c2cccnc2)c1 ZINC000215405933 241122016 /nfs/dbraw/zinc/12/20/16/241122016.db2.gz RNDQYSUMVKFVLM-OAQYLSRUSA-N 0 3 332.451 4.054 50 0 EIAAHN CCN1CCN(CCCCOc2ccccc2-c2ccccc2)CC1 ZINC000020406362 212125242 /nfs/dbraw/zinc/12/52/42/212125242.db2.gz CORZDNTWUWCIHY-UHFFFAOYSA-N 0 3 338.495 4.150 50 0 EIAAHN CCc1cc(OCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000020166951 212108281 /nfs/dbraw/zinc/10/82/81/212108281.db2.gz KVLYPGAFXFBFOL-GJZGRUSLSA-N 0 3 325.880 4.171 50 0 EIAAHN Cc1ccc([C@H](C(=O)NC2CCCC2)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020108376 212101438 /nfs/dbraw/zinc/10/14/38/212101438.db2.gz RWNXKLSXBTXDBA-MBOZVWFJSA-N 0 3 328.500 4.073 50 0 EIAAHN Cc1ccc([C@H](C(=O)NC2CCCCC2)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020108408 212101194 /nfs/dbraw/zinc/10/11/94/212101194.db2.gz VDERFUJMNKLXHF-DBXWQHBBSA-N 0 3 342.527 4.463 50 0 EIAAHN CCc1ccc2c(c1)Sc1ccccc1C[C@H]2N1CCN(C)CC1 ZINC000019802419 212069583 /nfs/dbraw/zinc/06/95/83/212069583.db2.gz MATADNMOHBGGPF-LJQANCHMSA-N 0 3 338.520 4.245 50 0 EIAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)cc1C ZINC000012246342 211329196 /nfs/dbraw/zinc/32/91/96/211329196.db2.gz LEMKJYBDROFACD-GOSISDBHSA-N 0 3 341.499 4.305 50 0 EIAAHN CCOc1cc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)ccc1O ZINC000012303916 211339931 /nfs/dbraw/zinc/33/99/31/211339931.db2.gz WGCSEDDJBJJBBJ-GOSISDBHSA-N 0 3 344.430 4.007 50 0 EIAAHN Cc1ccc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)o1 ZINC000011842838 211255260 /nfs/dbraw/zinc/25/52/60/211255260.db2.gz XBJIRDRVRJOJNN-UHFFFAOYSA-N 0 3 333.859 4.059 50 0 EIAAHN CN(Cc1ccc(C(N)=O)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373409 211214825 /nfs/dbraw/zinc/21/48/25/211214825.db2.gz WJCSORZZMVBSBA-NRFANRHFSA-N 0 3 348.421 4.146 50 0 EIAAHN COc1ccc([C@H](N[C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009547871 211101616 /nfs/dbraw/zinc/10/16/16/211101616.db2.gz VAHZNFBZMLURDU-AZUAARDMSA-N 0 3 325.452 4.332 50 0 EIAAHN CCCC[C@@H]1C=CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095391103 218322494 /nfs/dbraw/zinc/32/24/94/218322494.db2.gz MNDJGNGUUCJSLI-HXUWFJFHSA-N 0 3 326.484 4.243 50 0 EIAAHN CC(C)[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 ZINC000095422715 218365051 /nfs/dbraw/zinc/36/50/51/218365051.db2.gz HAKFTDFJQANIPA-KXBFYZLASA-N 0 3 339.439 4.086 50 0 EIAAHN CCCn1nc(CN[C@H](C)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000248020283 258072977 /nfs/dbraw/zinc/07/29/77/258072977.db2.gz UMYNKSRAYPCTGX-GOSISDBHSA-N 0 3 348.494 4.466 50 0 EIAAHN CN(C)Cc1ccc([C@@H]2CCCN2Cc2ccncc2Cl)cc1 ZINC000215648518 536021059 /nfs/dbraw/zinc/02/10/59/536021059.db2.gz MLTCTFXQUXSSEC-IBGZPJMESA-N 0 3 329.875 4.134 50 0 EIAAHN Cc1csc2c1ncnc2NC1CCN(Cc2ccccc2)CC1 ZINC000000116396 563231896 /nfs/dbraw/zinc/23/18/96/563231896.db2.gz IIXBHKOPEYTHQC-UHFFFAOYSA-N 0 3 338.480 4.076 50 0 EIAAHN CC(OCCN1CCCC1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000347707 563288407 /nfs/dbraw/zinc/28/84/07/563288407.db2.gz GHZNNDWKJRHDCK-UHFFFAOYSA-N 0 3 331.406 4.341 50 0 EIAAHN Cc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)s1 ZINC000012712330 563668706 /nfs/dbraw/zinc/66/87/06/563668706.db2.gz VJCRZIHTZXJEHK-LJQANCHMSA-N 0 3 333.472 4.013 50 0 EIAAHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 ZINC000012993083 563682778 /nfs/dbraw/zinc/68/27/78/563682778.db2.gz RANGERMMHJGWOL-WBVHZDCISA-N 0 3 326.440 4.072 50 0 EIAAHN CN(C)Cc1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000024067023 563868966 /nfs/dbraw/zinc/86/89/66/563868966.db2.gz BBQUOQPSDWQIEW-UHFFFAOYSA-N 0 3 343.279 4.047 50 0 EIAAHN Cc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)s1 ZINC000027223033 563895022 /nfs/dbraw/zinc/89/50/22/563895022.db2.gz XGWVQVAFVCAZSA-IBGZPJMESA-N 0 3 337.492 4.469 50 0 EIAAHN Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000027581844 563897173 /nfs/dbraw/zinc/89/71/73/563897173.db2.gz CNEIYAIJHDHFMF-OAQYLSRUSA-N 0 3 336.479 4.260 50 0 EIAAHN Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 ZINC000027662753 563898404 /nfs/dbraw/zinc/89/84/04/563898404.db2.gz QWZDJENVETUJRV-SFHVURJKSA-N 0 3 342.508 4.404 50 0 EIAAHN Cc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027741347 563899334 /nfs/dbraw/zinc/89/93/34/563899334.db2.gz OIVZYFFCWUTGQA-SFHVURJKSA-N 0 3 342.508 4.404 50 0 EIAAHN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000028291343 563902181 /nfs/dbraw/zinc/90/21/81/563902181.db2.gz DMTWTLDRJMRJPY-SFHVURJKSA-N 0 3 336.435 4.082 50 0 EIAAHN Cc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)c1 ZINC000028289404 563902198 /nfs/dbraw/zinc/90/21/98/563902198.db2.gz CKGVAGLSZXKXKZ-HXUWFJFHSA-N 0 3 338.495 4.325 50 0 EIAAHN CCc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCC2)cc1 ZINC000028292830 563902298 /nfs/dbraw/zinc/90/22/98/563902298.db2.gz UMFIIZVRAOPKMB-OAQYLSRUSA-N 0 3 336.479 4.124 50 0 EIAAHN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000044933447 563928349 /nfs/dbraw/zinc/92/83/49/563928349.db2.gz HLRUYZKEMHHGNX-SFHVURJKSA-N 0 3 336.479 4.084 50 0 EIAAHN Cc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000048290687 563930204 /nfs/dbraw/zinc/93/02/04/563930204.db2.gz JNRINPCGFXJNSF-SFHVURJKSA-N 0 3 336.479 4.084 50 0 EIAAHN CCCCc1cc(=O)[n-]c(-c2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000048482859 563930439 /nfs/dbraw/zinc/93/04/39/563930439.db2.gz QSGMXDMRUCUIES-UHFFFAOYSA-N 0 3 339.483 4.011 50 0 EIAAHN Cc1c(Cl)cccc1-c1ccc(CNCCOc2ccccn2)o1 ZINC000057354917 563935552 /nfs/dbraw/zinc/93/55/52/563935552.db2.gz DJKLFDHKYRFCES-UHFFFAOYSA-N 0 3 342.826 4.472 50 0 EIAAHN C[C@@H]1CCCC[C@@H]1OCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000058345000 563943202 /nfs/dbraw/zinc/94/32/02/563943202.db2.gz UJBUNJBNRVMAAW-AOIWGVFYSA-N 0 3 337.529 4.324 50 0 EIAAHN Cc1ccc2c(CN3CCC[C@H]3c3ccc(O)cc3)cc(=O)oc2c1 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ZINC000095463506 564140925 /nfs/dbraw/zinc/14/09/25/564140925.db2.gz VXEZLIGFOPPMRK-IFXJQAMLSA-N 0 3 331.456 4.279 50 0 EIAAHN O[C@@H]1CCN(CCCOc2cccc(Cl)c2)Cc2ccccc21 ZINC000095466724 564141071 /nfs/dbraw/zinc/14/10/71/564141071.db2.gz CYPBDSLQOXMBSM-LJQANCHMSA-N 0 3 331.843 4.048 50 0 EIAAHN Cc1ccc(CN[C@H](C)c2cccs2)c(OC[C@H]2CCOC2)c1 ZINC000095969172 564143401 /nfs/dbraw/zinc/14/34/01/564143401.db2.gz IQBBDRXDGINPRJ-CVEARBPZSA-N 0 3 331.481 4.323 50 0 EIAAHN COC[C@@H](NCCc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000225634569 564150055 /nfs/dbraw/zinc/15/00/55/564150055.db2.gz AWIJRQAEDGCWHS-LJQANCHMSA-N 0 3 340.398 4.001 50 0 EIAAHN Cc1c([O-])ccc2c(C[N@@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000057536119 564154867 /nfs/dbraw/zinc/15/48/67/564154867.db2.gz ALNZQUPDMFFBHN-GOSISDBHSA-N 0 3 335.403 4.144 50 0 EIAAHN Cc1c([O-])ccc2c(C[N@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000057536119 564154868 /nfs/dbraw/zinc/15/48/68/564154868.db2.gz ALNZQUPDMFFBHN-GOSISDBHSA-N 0 3 335.403 4.144 50 0 EIAAHN Clc1ccc(-c2cnc(CN3CCC(c4ccn[nH]4)CC3)o2)cc1 ZINC000058265348 564158278 /nfs/dbraw/zinc/15/82/78/564158278.db2.gz BSZXXXVOOHPTFR-UHFFFAOYSA-N 0 3 342.830 4.098 50 0 EIAAHN Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1CN1CCCC1 ZINC000008572503 564165803 /nfs/dbraw/zinc/16/58/03/564165803.db2.gz LVHWEBTWIARMFY-UHFFFAOYSA-N 0 3 348.446 4.424 50 0 EIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(C)c1 ZINC000069460711 564169703 /nfs/dbraw/zinc/16/97/03/564169703.db2.gz MZPWVJJAXPBTKB-ICSRJNTNSA-N 0 3 335.451 4.143 50 0 EIAAHN COc1ccccc1/C=C/CN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000097165663 1023827389 /nfs/dbraw/zinc/82/73/89/1023827389.db2.gz HWYBKNUWWAXZSI-FNORWQNLSA-N 0 3 339.435 4.087 50 0 EIAAHN Cc1cccc(-n2nc(C3CC3)nc2-c2ccc(CN(C)C)o2)c1C ZINC000823709328 1044311296 /nfs/dbraw/zinc/31/12/96/1044311296.db2.gz ZCYZSQQTYUHWJM-UHFFFAOYSA-N 0 3 336.439 4.083 50 0 EIAAHN Cc1c(CN(C)Cc2cc(CN(C)C)cs2)[nH]c2ccccc12 ZINC000097674472 219045755 /nfs/dbraw/zinc/04/57/55/219045755.db2.gz MJMYOTIVQZIGNH-UHFFFAOYSA-N 0 3 327.497 4.231 50 0 EIAAHN COCC[N@H+](Cc1sccc1C)Cc1ccc([O-])c(Cl)c1 ZINC000055393408 214316373 /nfs/dbraw/zinc/31/63/73/214316373.db2.gz WGBGIWVQPHGXIY-UHFFFAOYSA-N 0 3 325.861 4.064 50 0 EIAAHN COCC[N@@H+](Cc1sccc1C)Cc1ccc([O-])c(Cl)c1 ZINC000055393408 214316377 /nfs/dbraw/zinc/31/63/77/214316377.db2.gz WGBGIWVQPHGXIY-UHFFFAOYSA-N 0 3 325.861 4.064 50 0 EIAAHN CN(Cc1cn2c3ccccc3n(C)c2n1)C12CC3CC(CC(C3)C1)C2 ZINC000003833059 210078647 /nfs/dbraw/zinc/07/86/47/210078647.db2.gz ZGDIACHVCVKQRB-UHFFFAOYSA-N 0 3 348.494 4.227 50 0 EIAAHN c1ccc(-c2ccccc2OCCOCCN2CCCCC2)cc1 ZINC000003460446 210045407 /nfs/dbraw/zinc/04/54/07/210045407.db2.gz JYULRDHEGXZIJL-UHFFFAOYSA-N 0 3 325.452 4.235 50 0 EIAAHN CC(=O)Nc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000067667685 215177771 /nfs/dbraw/zinc/17/77/71/215177771.db2.gz QZQGFTPZEUTJAQ-UHFFFAOYSA-N 0 3 340.320 4.093 50 0 EIAAHN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000067880811 215239579 /nfs/dbraw/zinc/23/95/79/215239579.db2.gz HONGZFVMIKOHBP-LJQANCHMSA-N 0 3 332.451 4.160 50 0 EIAAHN CN(C)[C@H]1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)C1 ZINC000104101494 219347474 /nfs/dbraw/zinc/34/74/74/219347474.db2.gz ZKDREEBMTDTLGO-AWEZNQCLSA-N 0 3 340.858 4.111 50 0 EIAAHN c1cc(-c2noc(CN3CCC[C@H]3CCc3ccccc3)n2)cs1 ZINC000040153649 213274166 /nfs/dbraw/zinc/27/41/66/213274166.db2.gz QKXKKQYVASYSKK-KRWDZBQOSA-N 0 3 339.464 4.395 50 0 EIAAHN COc1ccc(CN[C@H](c2ccccc2)C(C)C)c(OC)c1OC ZINC000039985623 213249161 /nfs/dbraw/zinc/24/91/61/213249161.db2.gz UDEQKYISFRPRFA-SFHVURJKSA-N 0 3 329.440 4.199 50 0 EIAAHN c1ccc2c(c1)cccc2-c1noc2c1CN([C@@H]1CCSC1)CC2 ZINC000039430133 213235739 /nfs/dbraw/zinc/23/57/39/213235739.db2.gz FQBDLOSOFXLXBC-OAHLLOKOSA-N 0 3 336.460 4.358 50 0 EIAAHN Cc1ccc(C)c(-c2csc3[nH]c(CNCC(C)C)nc(=O)c23)c1 ZINC000036154437 213073795 /nfs/dbraw/zinc/07/37/95/213073795.db2.gz WBYWCPJMTBMZHU-UHFFFAOYSA-N 0 3 341.480 4.014 50 0 EIAAHN Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000033040098 212890944 /nfs/dbraw/zinc/89/09/44/212890944.db2.gz FDAGOXUGRCZJLJ-CHWSQXEVSA-N 0 3 334.822 4.465 50 0 EIAAHN CC[C@@H](c1ccccc1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000072074098 216002948 /nfs/dbraw/zinc/00/29/48/216002948.db2.gz XBSCFOZRGUUVPW-FQEVSTJZSA-N 0 3 338.451 4.344 50 0 EIAAHN CSc1ccccc1CN1CCCN(Cc2cccs2)CC1 ZINC000072158314 216048803 /nfs/dbraw/zinc/04/88/03/216048803.db2.gz OSRJIESBLWMKBU-UHFFFAOYSA-N 0 3 332.538 4.178 50 0 EIAAHN CCCCN1CCc2nc[nH]c2[C@H]1c1ccc(-c2ccccn2)cc1 ZINC000072169501 216060751 /nfs/dbraw/zinc/06/07/51/216060751.db2.gz KGXIQENFJBHPFX-OAQYLSRUSA-N 0 3 332.451 4.219 50 0 EIAAHN COc1ccc(-c2nc3c(C)cccc3cc2CN(C)C)cc1OC ZINC000072425441 216215905 /nfs/dbraw/zinc/21/59/05/216215905.db2.gz PRZNTZICOZXAIW-UHFFFAOYSA-N 0 3 336.435 4.289 50 0 EIAAHN Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CCC[C@H](O)C2)c1 ZINC000072480983 216259819 /nfs/dbraw/zinc/25/98/19/216259819.db2.gz LGRFNPSVXWLGEP-NRFANRHFSA-N 0 3 346.474 4.475 50 0 EIAAHN CC(C)(C)CN1CCC[C@H]1c1ccc(C(=O)NCC(F)(F)F)s1 ZINC000023251058 212365164 /nfs/dbraw/zinc/36/51/64/212365164.db2.gz QZOBGVYNOOWBOS-NSHDSACASA-N 0 3 348.434 4.223 50 0 EIAAHN CN(C)[C@H](CNCc1ccc(-c2ccccc2F)o1)c1ccco1 ZINC000022095735 212276786 /nfs/dbraw/zinc/27/67/86/212276786.db2.gz HFYKODGJMWLBCR-QGZVFWFLSA-N 0 3 328.387 4.071 50 0 EIAAHN Cn1ccc2cc(CN3CCC([C@@H](O)c4cccs4)CC3)ccc21 ZINC000216113301 241165491 /nfs/dbraw/zinc/16/54/91/241165491.db2.gz VDZILAYETSUTRJ-HXUWFJFHSA-N 0 3 340.492 4.185 50 0 EIAAHN Cc1cc(NC(=O)[C@H](N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2)no1 ZINC000229714992 242192230 /nfs/dbraw/zinc/19/22/30/242192230.db2.gz PRESOVRBDLIODM-ZSFPCNDZSA-N 0 3 341.455 4.077 50 0 EIAAHN CCSC1=NC2(CCNCC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000020848456 212175639 /nfs/dbraw/zinc/17/56/39/212175639.db2.gz MJDGIZAJURXOCK-UHFFFAOYSA-N 0 3 329.513 4.018 50 0 EIAAHN C[C@H]1CN(CCn2c3ccccc3c3cc(Cl)ccc32)CCN1C ZINC000020536866 212144403 /nfs/dbraw/zinc/14/44/03/212144403.db2.gz KSYZLPHSZSDIHK-HNNXBMFYSA-N 0 3 341.886 4.084 50 0 EIAAHN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)NCC2 ZINC000020506848 212141053 /nfs/dbraw/zinc/14/10/53/212141053.db2.gz WEKALSXFBRPZOT-LJQANCHMSA-N 0 3 331.843 4.373 50 0 EIAAHN CCOc1cc2c(cc1OCC)[C@H](c1cccc(Cl)c1)NCC2 ZINC000020506863 212141569 /nfs/dbraw/zinc/14/15/69/212141569.db2.gz ZIJUKVHWGJPCTK-IBGZPJMESA-N 0 3 331.843 4.373 50 0 EIAAHN Cc1ccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000020102858 212100756 /nfs/dbraw/zinc/10/07/56/212100756.db2.gz NQPIKRUJSKHSKP-UHFFFAOYSA-N 0 3 328.500 4.046 50 0 EIAAHN Fc1ccc(CN2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000019361469 212021308 /nfs/dbraw/zinc/02/13/08/212021308.db2.gz HLACBROTJDQZOS-UHFFFAOYSA-N 0 3 334.438 4.297 50 0 EIAAHN Clc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1 ZINC000019156866 212001440 /nfs/dbraw/zinc/00/14/40/212001440.db2.gz SOPFZSFWVNVFTB-UHFFFAOYSA-N 0 3 328.887 4.090 50 0 EIAAHN CCC1(CC)Cc2cc(OC)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000019205341 212004363 /nfs/dbraw/zinc/00/43/63/212004363.db2.gz OCNMIKHELOBPHD-HXUWFJFHSA-N 0 3 325.452 4.498 50 0 biogenic EIAAHN Cc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1F ZINC000012488721 211393348 /nfs/dbraw/zinc/39/33/48/211393348.db2.gz IQBLIRIOHYOSCQ-UHFFFAOYSA-N 0 3 340.442 4.050 50 0 EIAAHN COc1cc(CNCc2cc(C)cc3c(C)c(C)[nH]c32)cc(OC)c1 ZINC000012074266 211287028 /nfs/dbraw/zinc/28/70/28/211287028.db2.gz YRZYNDXKXCTHMW-UHFFFAOYSA-N 0 3 338.451 4.400 50 0 EIAAHN O=C(Nc1c(F)cccc1F)c1ccc(CN2CCCCC2)cc1 ZINC000010330150 211163972 /nfs/dbraw/zinc/16/39/72/211163972.db2.gz PFXUOYBBMFFFJS-UHFFFAOYSA-N 0 3 330.378 4.203 50 0 EIAAHN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000009062804 211037115 /nfs/dbraw/zinc/03/71/15/211037115.db2.gz JZIXREYOPSXAOS-UHFFFAOYSA-N 0 3 346.833 4.330 50 0 EIAAHN CCc1nc(C)sc1CN1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095387249 218319251 /nfs/dbraw/zinc/31/92/51/218319251.db2.gz NTEYONVMOZBHPP-OAHLLOKOSA-N 0 3 332.517 4.171 50 0 EIAAHN C[C@H](N[C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000095419573 218359826 /nfs/dbraw/zinc/35/98/26/218359826.db2.gz GFRDZYHAKFQRGS-KKSFZXQISA-N 0 3 347.462 4.337 50 0 EIAAHN Cc1ccc([C@@H](C)NCc2ccc(CN3CCCC3=O)cc2)cc1C ZINC000095420650 218362072 /nfs/dbraw/zinc/36/20/72/218362072.db2.gz MXNDPJGQMIBZRQ-GOSISDBHSA-N 0 3 336.479 4.277 50 0 EIAAHN OC1CCN(Cc2ccccc2NCc2ccc(F)cc2Cl)CC1 ZINC000095425773 218367713 /nfs/dbraw/zinc/36/77/13/218367713.db2.gz QIOUIPGQRYIBAL-UHFFFAOYSA-N 0 3 348.849 4.048 50 0 EIAAHN CSc1cccc(N(C(=O)c2ccccc2)C2CCN(C)CC2)c1 ZINC000112247974 220272897 /nfs/dbraw/zinc/27/28/97/220272897.db2.gz AWDBOHPOXIPLSJ-UHFFFAOYSA-N 0 3 340.492 4.150 50 0 EIAAHN COc1cccc(OCCCCN2CCCC[C@H]2c2cccnc2)c1 ZINC000006624457 210664156 /nfs/dbraw/zinc/66/41/56/210664156.db2.gz ITNCHSZVTBOMMN-NRFANRHFSA-N 0 3 340.467 4.476 50 0 biogenic EIAAHN Fc1cnc2c(c1)nccc2NC[C@@H](c1ccco1)N1CCCCC1 ZINC000328592574 258043890 /nfs/dbraw/zinc/04/38/90/258043890.db2.gz DVKVEORUUFUETG-KRWDZBQOSA-N 0 3 340.402 4.001 50 0 EIAAHN CC(C)NCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248015755 258073002 /nfs/dbraw/zinc/07/30/02/258073002.db2.gz SOWJCDQWBFPBQI-UHFFFAOYSA-N 0 3 340.858 4.145 50 0 EIAAHN Cc1ccsc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055543620 132195858 /nfs/dbraw/zinc/19/58/58/132195858.db2.gz UXNXTRALRUQANK-UHFFFAOYSA-N 0 3 340.414 4.398 50 0 EIAAHN C[C@@H](CCc1ccc(O)cc1)NCc1ccccc1Br ZINC000023280228 563906301 /nfs/dbraw/zinc/90/63/01/563906301.db2.gz GPCNSULUIGMSGF-ZDUSSCGKSA-N 0 3 334.257 4.266 50 0 EIAAHN CC[C@@H](COc1ccccn1)NCc1ccc(Cl)cc1Cl ZINC000041154147 563924388 /nfs/dbraw/zinc/92/43/88/563924388.db2.gz ARZWQYHWRXWHPC-AWEZNQCLSA-N 0 3 325.239 4.336 50 0 EIAAHN Brc1ccc2[nH]c(CN3CC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000097141144 563968264 /nfs/dbraw/zinc/96/82/64/563968264.db2.gz BBEKGSQQVIMMNP-NHYWBVRUSA-N 0 3 334.261 4.090 50 0 EIAAHN Brc1ccc2nc(CN3CC[C@@H]4CCCC[C@@H]43)[nH]c2c1 ZINC000097141144 563968265 /nfs/dbraw/zinc/96/82/65/563968265.db2.gz BBEKGSQQVIMMNP-NHYWBVRUSA-N 0 3 334.261 4.090 50 0 EIAAHN Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)N1CCCC[C@H]1C ZINC000252457298 564118592 /nfs/dbraw/zinc/11/85/92/564118592.db2.gz WESHCXQQFSZURC-CHWSQXEVSA-N 0 3 339.936 4.198 50 0 EIAAHN CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 ZINC000000156831 563248146 /nfs/dbraw/zinc/24/81/46/563248146.db2.gz MXYUKLILVYORSK-HKBOAZHASA-N 0 3 337.463 4.236 50 0 biogenic,in-man EIAAHN CCN(CC)C[C@H](O)c1cc2cc(Br)ccc2s1 ZINC000000338774 563286008 /nfs/dbraw/zinc/28/60/08/563286008.db2.gz RQLHMDGRXVRMOL-LBPRGKRZSA-N 0 3 328.275 4.039 50 0 EIAAHN CCCOc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1OC ZINC000001817340 563413439 /nfs/dbraw/zinc/41/34/39/563413439.db2.gz JHWGOXBHJAQYEN-FQEVSTJZSA-N 0 3 336.435 4.200 50 0 biogenic EIAAHN O=C(CCN1CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 ZINC000002701359 563602769 /nfs/dbraw/zinc/60/27/69/563602769.db2.gz FRMSMCJUMKFORR-UHFFFAOYSA-N 0 3 349.261 4.380 50 0 EIAAHN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1F ZINC000012677166 563667539 /nfs/dbraw/zinc/66/75/39/563667539.db2.gz XASDZBQTQPURDC-KUHUBIRLSA-N 0 3 326.415 4.202 50 0 EIAAHN Cc1ccc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000012714762 563669131 /nfs/dbraw/zinc/66/91/31/563669131.db2.gz LTEZZWTXKFWORX-MRXNPFEDSA-N 0 3 344.430 4.358 50 0 EIAAHN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 ZINC000012993082 563682648 /nfs/dbraw/zinc/68/26/48/563682648.db2.gz RANGERMMHJGWOL-NVXWUHKLSA-N 0 3 326.440 4.072 50 0 EIAAHN Cc1ccc(C)c(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000013322985 563694540 /nfs/dbraw/zinc/69/45/40/563694540.db2.gz ZZRQXXDWFSZJLA-UHFFFAOYSA-N 0 3 337.467 4.090 50 0 EIAAHN Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NCc1cccs1 ZINC000014956908 563768121 /nfs/dbraw/zinc/76/81/21/563768121.db2.gz FAMKRRMBEBUCPX-OAHLLOKOSA-N 0 3 344.528 4.468 50 0 EIAAHN CCN(CC)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000032902442 563787943 /nfs/dbraw/zinc/78/79/43/563787943.db2.gz LMCRTRVSVWSGAZ-KRWDZBQOSA-N 0 3 348.849 4.292 50 0 EIAAHN C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 ZINC000025364280 563883983 /nfs/dbraw/zinc/88/39/83/563883983.db2.gz QUUFWPLNBGGLTE-ZDUSSCGKSA-N 0 3 346.356 4.137 50 0 EIAAHN O=C(Nc1cccc(CN2CCCCC2)c1)C1=Cc2ccccc2OC1 ZINC000027141131 563894831 /nfs/dbraw/zinc/89/48/31/563894831.db2.gz JZUNSLCWJHIMSP-UHFFFAOYSA-N 0 3 348.446 4.087 50 0 EIAAHN Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000027581850 563897185 /nfs/dbraw/zinc/89/71/85/563897185.db2.gz CNEIYAIJHDHFMF-NRFANRHFSA-N 0 3 336.479 4.260 50 0 EIAAHN Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662569 563898414 /nfs/dbraw/zinc/89/84/14/563898414.db2.gz TYMVPQCFKSWLKQ-GOSISDBHSA-N 0 3 342.508 4.404 50 0 EIAAHN Cc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028290454 563902146 /nfs/dbraw/zinc/90/21/46/563902146.db2.gz YLAYXUNYKPEJNO-FQEVSTJZSA-N 0 3 338.495 4.325 50 0 EIAAHN COCCNCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428346 563902916 /nfs/dbraw/zinc/90/29/16/563902916.db2.gz QWASVMFCGQDSAA-UHFFFAOYSA-N 0 3 328.843 4.079 50 0 EIAAHN CCOc1ccccc1CN1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000042484224 563924704 /nfs/dbraw/zinc/92/47/04/563924704.db2.gz 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/nfs/dbraw/zinc/96/89/85/563968985.db2.gz ALBLVCSOHQYMGW-QGZVFWFLSA-N 0 3 342.483 4.108 50 0 EIAAHN Cc1cccc(-c2nc3ccccc3c(N(C)C3CCN(C)CC3)n2)c1 ZINC000000144309 563987188 /nfs/dbraw/zinc/98/71/88/563987188.db2.gz FWGGYKDHPHFMBL-UHFFFAOYSA-N 0 3 346.478 4.136 50 0 EIAAHN Cc1ccc(NC(=S)N(C(C)C)C2CCN(C(C)C)CC2)cc1 ZINC000000261476 563989689 /nfs/dbraw/zinc/98/96/89/563989689.db2.gz BAKXCQSGZOLFCM-UHFFFAOYSA-N 0 3 333.545 4.275 50 0 EIAAHN COc1ccc(C[C@H](NCc2cccnc2)c2ccc(OC)cc2)cc1 ZINC000017317781 564011650 /nfs/dbraw/zinc/01/16/50/564011650.db2.gz SYRJGWYEQVCMRN-QFIPXVFZSA-N 0 3 348.446 4.172 50 0 EIAAHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1ccccc1 ZINC000048681419 564032036 /nfs/dbraw/zinc/03/20/36/564032036.db2.gz MJWDEFZJINRLDZ-UHFFFAOYSA-N 0 3 325.843 4.432 50 0 EIAAHN CC(C)[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000008003819 564034585 /nfs/dbraw/zinc/03/45/85/564034585.db2.gz OADWDRGVDFXMNN-SFHVURJKSA-N 0 3 336.357 4.029 50 0 EIAAHN C[C@@H]1C[C@H](C)CN([C@@H](C(=O)NC2CCCCC2)c2ccccc2)C1 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C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012773354 564069088 /nfs/dbraw/zinc/06/90/88/564069088.db2.gz PTBYQWLNBXUIQE-SJKOYZFVSA-N 0 3 348.368 4.310 50 0 EIAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000012779492 564069801 /nfs/dbraw/zinc/06/98/01/564069801.db2.gz OMOSVTPCIKDKSI-SFHVURJKSA-N 0 3 348.849 4.292 50 0 EIAAHN CN(C)[C@@H](CNc1ncnc2cc(Cl)ccc21)c1cccs1 ZINC000012867773 564075882 /nfs/dbraw/zinc/07/58/82/564075882.db2.gz UAXGFSSWJBRGMH-AWEZNQCLSA-N 0 3 332.860 4.060 50 0 EIAAHN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000012922755 564078430 /nfs/dbraw/zinc/07/84/30/564078430.db2.gz NEMDARSPMGQNQX-CXAGYDPISA-N 0 3 328.843 4.253 50 0 EIAAHN Clc1ccc(COCC2CCN(Cc3cccnc3)CC2)cc1 ZINC000075156583 564080946 /nfs/dbraw/zinc/08/09/46/564080946.db2.gz PVZGLYPQFBHNJG-UHFFFAOYSA-N 0 3 330.859 4.164 50 0 EIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000239433928 564088149 /nfs/dbraw/zinc/08/81/49/564088149.db2.gz 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564154460 /nfs/dbraw/zinc/15/44/60/564154460.db2.gz ZYWJMNOOUGJDFL-UHFFFAOYSA-N 0 3 329.444 4.223 50 0 EIAAHN CC[C@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000057574295 564155021 /nfs/dbraw/zinc/15/50/21/564155021.db2.gz ZCRGPQLJBRKMLU-LRDDRELGSA-N 0 3 336.888 4.147 50 0 EIAAHN CCOc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000008003742 564162054 /nfs/dbraw/zinc/16/20/54/564162054.db2.gz KRUKICWJTOVQJQ-HXUWFJFHSA-N 0 3 344.430 4.150 50 0 EIAAHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1C[C@H]1c1ccccc1 ZINC000071828164 564175689 /nfs/dbraw/zinc/17/56/89/564175689.db2.gz HNJYBQKKRWYLRQ-UNMCSNQZSA-N 0 3 331.463 4.194 50 0 EIAAHN CC(C)COc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000152515685 1042887636 /nfs/dbraw/zinc/88/76/36/1042887636.db2.gz AQUAVOBLQFXVGK-GYCJOSAFSA-N 0 3 345.508 4.310 50 0 EIAAHN C[C@@H](NCc1cnc2c(-c3ccccc3)cnn2c1)C1=CCCCC1 ZINC000952873918 1049678238 /nfs/dbraw/zinc/67/82/38/1049678238.db2.gz QQEZTRXEFUEBLP-MRXNPFEDSA-N 0 3 332.451 4.375 50 0 EIAAHN Cc1ncsc1CCN(C)Cc1cnc(-c2ccccc2)s1 ZINC000952991282 1049692973 /nfs/dbraw/zinc/69/29/73/1049692973.db2.gz MWDQLMBQQWAGRP-UHFFFAOYSA-N 0 3 329.494 4.250 50 0 EIAAHN CSc1ccc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000004745053 210266956 /nfs/dbraw/zinc/26/69/56/210266956.db2.gz UJMGAFPUWWQSRS-SFHVURJKSA-N 0 3 346.540 4.023 50 0 EIAAHN CC[C@H](C)N(Cc1ccncc1)Cc1cccc(Cn2cccn2)c1 ZINC000055133250 214278339 /nfs/dbraw/zinc/27/83/39/214278339.db2.gz OMSSXKSKSYUODB-SFHVURJKSA-N 0 3 334.467 4.127 50 0 EIAAHN FC(F)(F)CCCN1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000055153778 214280450 /nfs/dbraw/zinc/28/04/50/214280450.db2.gz YHCNZGSSVOQZJQ-UHFFFAOYSA-N 0 3 344.425 4.305 50 0 EIAAHN CC[C@H](C)N(Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccnc1 ZINC000055167772 214282670 /nfs/dbraw/zinc/28/26/70/214282670.db2.gz KUKJKWSYUPUOSY-HNNXBMFYSA-N 0 3 338.430 4.412 50 0 EIAAHN CC[C@H](C)N(Cc1cccnc1)Cc1ccccc1Cn1cccn1 ZINC000055392803 214317234 /nfs/dbraw/zinc/31/72/34/214317234.db2.gz KPYDPBJJZMSKNH-SFHVURJKSA-N 0 3 334.467 4.127 50 0 EIAAHN CC[C@H](O)CN(CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000004591329 210228788 /nfs/dbraw/zinc/22/87/88/210228788.db2.gz HTGJQZVDWVTSPY-NRFANRHFSA-N 0 3 346.490 4.295 50 0 EIAAHN c1cn(Cc2ccc(Oc3ccccc3CN3CCCCC3)nc2)cn1 ZINC000067871362 215236503 /nfs/dbraw/zinc/23/65/03/215236503.db2.gz IXXASGYZZDESEV-UHFFFAOYSA-N 0 3 348.450 4.105 50 0 EIAAHN COc1ccc(CN2CCCC2)cc1Oc1ccc(NC(C)=O)cc1 ZINC000067883540 215240444 /nfs/dbraw/zinc/24/04/44/215240444.db2.gz FBWCAECDIGJRSE-UHFFFAOYSA-N 0 3 340.423 4.042 50 0 EIAAHN C[C@@H](NCc1cccc(O)c1)c1ccc(OCc2cccnc2)cc1 ZINC000069370983 215391191 /nfs/dbraw/zinc/39/11/91/215391191.db2.gz YIHLVNBZORXZOK-MRXNPFEDSA-N 0 3 334.419 4.217 50 0 EIAAHN COc1ccc([C@H]2CCCN2C[C@H](O)c2ccccc2Cl)cc1 ZINC000040105794 213265779 /nfs/dbraw/zinc/26/57/79/213265779.db2.gz ZTTLUDKOIBEDKQ-MOPGFXCFSA-N 0 3 331.843 4.219 50 0 EIAAHN CC[C@@H](C)N(Cc1ccsc1)C[C@H](O)COc1ccccc1C ZINC000036031852 213056823 /nfs/dbraw/zinc/05/68/23/213056823.db2.gz VZFACIPARFSTJV-AEFFLSMTSA-N 0 3 333.497 4.097 50 0 EIAAHN c1coc(-c2cccc(CN3CCCN(Cc4ccncc4)CC3)c2)c1 ZINC000072149120 216037000 /nfs/dbraw/zinc/03/70/00/216037000.db2.gz GMVZRTFVGWCPIG-UHFFFAOYSA-N 0 3 347.462 4.050 50 0 EIAAHN CC(C)(C)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000028904408 212642969 /nfs/dbraw/zinc/64/29/69/212642969.db2.gz PQYBYRUZDWNDNY-UHFFFAOYSA-N 0 3 332.831 4.459 50 0 EIAAHN Cc1ccc([C@H](Cn2ccnc2-c2cccc(F)c2F)N(C)C)o1 ZINC000072419998 216209142 /nfs/dbraw/zinc/20/91/42/216209142.db2.gz IARVUPQUWTYGAR-HNNXBMFYSA-N 0 3 331.366 4.033 50 0 EIAAHN COc1ccc(CNCCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000023258733 212364889 /nfs/dbraw/zinc/36/48/89/212364889.db2.gz PSRJFLXGMZJYKF-UHFFFAOYSA-N 0 3 340.250 4.343 50 0 EIAAHN Cn1ccnc1[C@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1 ZINC000216111649 241167757 /nfs/dbraw/zinc/16/77/57/241167757.db2.gz KLLQXYDMVSOXJS-HNNXBMFYSA-N 0 3 340.858 4.001 50 0 EIAAHN COc1cccc([C@H]2CCCN2Cc2cc(CN(C)C)cs2)c1 ZINC000215409132 241123328 /nfs/dbraw/zinc/12/33/28/241123328.db2.gz WGYRJHAHDNXZBT-LJQANCHMSA-N 0 3 330.497 4.155 50 0 EIAAHN c1cnn(CCC2CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)c1 ZINC000215625392 241136336 /nfs/dbraw/zinc/13/63/36/241136336.db2.gz DGBPKTLXPJHIAB-GOSISDBHSA-N 0 3 345.512 4.098 50 0 EIAAHN CCCCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020026993 212094502 /nfs/dbraw/zinc/09/45/02/212094502.db2.gz IPFAFWZYQVDDPF-UHFFFAOYSA-N 0 3 336.479 4.165 50 0 EIAAHN COc1ccccc1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000019841191 212074000 /nfs/dbraw/zinc/07/40/00/212074000.db2.gz ZOCJNYNVLWEANM-UHFFFAOYSA-N 0 3 346.474 4.166 50 0 EIAAHN COc1cc(CN2CCC[C@H](c3n[nH]cc3CC(C)C)C2)ccc1F ZINC000019837854 212073832 /nfs/dbraw/zinc/07/38/32/212073832.db2.gz QCZPOJIWCIMVMD-INIZCTEOSA-N 0 3 345.462 4.136 50 0 EIAAHN Fc1cccc(CN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019781858 212065792 /nfs/dbraw/zinc/06/57/92/212065792.db2.gz NNLSLGPEMKLVDK-UHFFFAOYSA-N 0 3 334.438 4.297 50 0 EIAAHN Brc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000019376167 212024603 /nfs/dbraw/zinc/02/46/03/212024603.db2.gz HPHJFDGJKPJDGN-MRXNPFEDSA-N 0 3 327.225 4.166 50 0 biogenic EIAAHN COc1cccc(CN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019366697 212023162 /nfs/dbraw/zinc/02/31/62/212023162.db2.gz YVUAGUHPSNOCLJ-UHFFFAOYSA-N 0 3 346.474 4.166 50 0 EIAAHN O[C@](CNCc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000019205325 212003824 /nfs/dbraw/zinc/00/38/24/212003824.db2.gz BZQIGMCVUWHUJG-OAQYLSRUSA-N 0 3 337.850 4.366 50 0 EIAAHN COc1cc(CN2CCC[C@@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000015836758 211858802 /nfs/dbraw/zinc/85/88/02/211858802.db2.gz LVWAISJYXMWFBO-GOSISDBHSA-N 0 3 341.451 4.358 50 0 EIAAHN OC[C@@]1(CCc2ccccc2)CCCN(CCCC(F)(F)F)C1 ZINC000012507317 211394392 /nfs/dbraw/zinc/39/43/92/211394392.db2.gz YXWZFJDIKZHRQM-QGZVFWFLSA-N 0 3 329.406 4.036 50 0 EIAAHN CCCN1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000012199444 211318529 /nfs/dbraw/zinc/31/85/29/211318529.db2.gz HOHWMPCMYYABCF-FQEVSTJZSA-N 0 3 338.451 4.175 50 0 EIAAHN CC(C)CCN1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000012056735 211285000 /nfs/dbraw/zinc/28/50/00/211285000.db2.gz 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/nfs/dbraw/zinc/36/22/98/218362298.db2.gz JWGXPNYWUHXCDJ-SFHVURJKSA-N 0 3 338.842 4.006 50 0 EIAAHN CCOC(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004978031 210346678 /nfs/dbraw/zinc/34/66/78/210346678.db2.gz LWFQOCDKPRJZQE-GOSISDBHSA-N 0 3 339.435 4.254 50 0 EIAAHN Cc1ccc(CN2CCCC2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000179365224 257953696 /nfs/dbraw/zinc/95/36/96/257953696.db2.gz XWAQMRJUYHBDID-UHFFFAOYSA-N 0 3 336.426 4.355 50 0 EIAAHN CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2nc3ccccc3s2)C1 ZINC000241466159 523645452 /nfs/dbraw/zinc/64/54/52/523645452.db2.gz NVFGKXYPOQYVPS-PRBDWKGHSA-N 0 3 336.526 4.027 50 0 EIAAHN CC(C)(C)c1nc(CN2CCCCC2)cc(C[NH+]2CCCCC2)c1[O-] ZINC000000186649 563255506 /nfs/dbraw/zinc/25/55/06/563255506.db2.gz YYNYGLXURQQEQG-UHFFFAOYSA-N 0 3 345.531 4.057 50 0 EIAAHN CCOCCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000002178110 563425472 /nfs/dbraw/zinc/42/54/72/563425472.db2.gz DHHHXLKGKKHCHV-UHFFFAOYSA-N 0 3 333.859 4.435 50 0 EIAAHN Clc1cccc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981343 563517349 /nfs/dbraw/zinc/51/73/49/563517349.db2.gz DHGMGNFVRUHFCL-HXUWFJFHSA-N 0 3 326.871 4.020 50 0 EIAAHN C[C@H](O)CNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000005323451 563526867 /nfs/dbraw/zinc/52/68/67/563526867.db2.gz NJNLXENWMKKLLB-HNNXBMFYSA-N 0 3 339.410 4.028 50 0 EIAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCCc2ccccc21 ZINC000010691481 563648788 /nfs/dbraw/zinc/64/87/88/563648788.db2.gz RSGKZGLVLTXSOD-UHFFFAOYSA-N 0 3 334.463 4.266 50 0 EIAAHN OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccc2F)C1 ZINC000012714078 563668647 /nfs/dbraw/zinc/66/86/47/563668647.db2.gz CDUBNQKRKHMBBP-HXUWFJFHSA-N 0 3 347.861 4.296 50 0 EIAAHN COCc1ccc(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)o1 ZINC000015076162 563776396 /nfs/dbraw/zinc/77/63/96/563776396.db2.gz OYLMSOZYPOBJJL-GOSISDBHSA-N 0 3 328.456 4.119 50 0 EIAAHN CN1CCC(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000016603142 563816413 /nfs/dbraw/zinc/81/64/13/563816413.db2.gz IZIQUHCQWHXDIB-UHFFFAOYSA-N 0 3 343.279 4.032 50 0 EIAAHN CN(CCC(=O)Nc1cccc(F)c1)Cc1ccc2ccccc2c1 ZINC000025679503 563887358 /nfs/dbraw/zinc/88/73/58/563887358.db2.gz VYWKZAWLKBNXNB-UHFFFAOYSA-N 0 3 336.410 4.440 50 0 EIAAHN COc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222512 563894865 /nfs/dbraw/zinc/89/48/65/563894865.db2.gz VTMURGWGJZTGJW-NRFANRHFSA-N 0 3 347.462 4.107 50 0 EIAAHN Fc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222583 563894959 /nfs/dbraw/zinc/89/49/59/563894959.db2.gz KMEOCVZWLYKPBM-FQEVSTJZSA-N 0 3 335.426 4.238 50 0 EIAAHN Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000028291499 563902190 /nfs/dbraw/zinc/90/21/90/563902190.db2.gz YXNWDXDZDZMYCQ-SFHVURJKSA-N 0 3 342.508 4.260 50 0 EIAAHN C[C@@H](Cc1cccs1)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000033206058 563915415 /nfs/dbraw/zinc/91/54/15/563915415.db2.gz SAVLKROSEDOSDN-INIZCTEOSA-N 0 3 342.508 4.095 50 0 EIAAHN Cc1cc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc(C)c1Cl ZINC000002674786 563918058 /nfs/dbraw/zinc/91/80/58/563918058.db2.gz ZCYYUSJJSWGWPN-NVXWUHKLSA-N 0 3 333.859 4.047 50 0 EIAAHN COc1cccc([C@@H]2CCN2CCC(=O)Nc2cc(C)ccc2C)c1 ZINC000065461736 563961148 /nfs/dbraw/zinc/96/11/48/563961148.db2.gz YXQXOYIYJSFEIK-FQEVSTJZSA-N 0 3 338.451 4.088 50 0 EIAAHN CCOc1cc2c(cc1OCC)[C@H](c1ccc(C)cc1C)NCC2 ZINC000000034546 563967803 /nfs/dbraw/zinc/96/78/03/563967803.db2.gz XCIQZOZFZZVHLG-NRFANRHFSA-N 0 3 325.452 4.336 50 0 EIAAHN CCN(Cc1ccc2c(c1)OCO2)Cc1cc(F)cc2cccnc21 ZINC000097046560 563971657 /nfs/dbraw/zinc/97/16/57/563971657.db2.gz YXRHAYOBZWPFSQ-UHFFFAOYSA-N 0 3 338.382 4.125 50 0 EIAAHN Fc1ccccc1CN1CC[C@H]2CN(Cc3ccc4[nH]ccc4c3)C[C@H]21 ZINC000082115988 563972439 /nfs/dbraw/zinc/97/24/39/563972439.db2.gz AEMFAUOVPSOGLJ-SIKLNZKXSA-N 0 3 349.453 4.013 50 0 EIAAHN COc1cc(Br)c(CNC2CCCCCC2)cc1OC ZINC000000293473 563990301 /nfs/dbraw/zinc/99/03/01/563990301.db2.gz DHPQBIITAKKENX-UHFFFAOYSA-N 0 3 342.277 4.279 50 0 EIAAHN C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000300540 563990813 /nfs/dbraw/zinc/99/08/13/563990813.db2.gz XCNCPQPAEDAPFL-UTKZUKDTSA-N 0 3 336.479 4.176 50 0 EIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1Cl ZINC000248080495 563995142 /nfs/dbraw/zinc/99/51/42/563995142.db2.gz PLCBAAFOBRUHFI-VQIMIIECSA-N 0 3 340.854 4.097 50 0 EIAAHN CN(C)C(=O)c1cccc(CN[C@H](c2cccc(F)c2)C(C)(C)C)c1 ZINC000181073179 564013774 /nfs/dbraw/zinc/01/37/74/564013774.db2.gz OJXQQAQDBJMJDM-LJQANCHMSA-N 0 3 342.458 4.405 50 0 EIAAHN O=C(Nc1ccc2c(c1)oc1ccccc12)NC1CCN(C2CC2)CC1 ZINC000048328914 564031156 /nfs/dbraw/zinc/03/11/56/564031156.db2.gz FRSDJUVWHIDLEU-UHFFFAOYSA-N 0 3 349.434 4.334 50 0 EIAAHN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(C2OCCO2)cc1 ZINC000095967973 564034046 /nfs/dbraw/zinc/03/40/46/564034046.db2.gz UUVHILTUIKMJJT-CYBMUJFWSA-N 0 3 346.496 4.471 50 0 EIAAHN CCN(CC)[C@H](CNC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000024838322 564036749 /nfs/dbraw/zinc/03/67/49/564036749.db2.gz JIONAZSFPHTVAU-GOSISDBHSA-N 0 3 348.849 4.292 50 0 EIAAHN Cc1ccc(Cn2nc(CNC(C)(C)C)c(-c3ccccc3)n2)cc1 ZINC000248118082 564053010 /nfs/dbraw/zinc/05/30/10/564053010.db2.gz TYTKHGNFLTWZLP-UHFFFAOYSA-N 0 3 334.467 4.190 50 0 EIAAHN CCc1nc(C)c([C@H](C)NCc2ccc(F)c(CN(C)C)c2)s1 ZINC000120829854 564059808 /nfs/dbraw/zinc/05/98/08/564059808.db2.gz ILXZLPJQJPNHQB-LBPRGKRZSA-N 0 3 335.492 4.065 50 0 EIAAHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000012676939 564062566 /nfs/dbraw/zinc/06/25/66/564062566.db2.gz DPYLJPSTHMKXIE-SGTLLEGYSA-N 0 3 330.378 4.033 50 0 EIAAHN CN1CCN(c2ccc3nc(-c4cccc5ccccc54)[nH]c3c2)CC1 ZINC000001390248 564064499 /nfs/dbraw/zinc/06/44/99/564064499.db2.gz PIYGOKKHMVMDNS-UHFFFAOYSA-N 0 3 342.446 4.135 50 0 EIAAHN O=C(Nc1cccc2ncccc21)c1ccc(CN2CCCCC2)cc1 ZINC000012762008 564067809 /nfs/dbraw/zinc/06/78/09/564067809.db2.gz OWWLYKLWEOVFPH-UHFFFAOYSA-N 0 3 345.446 4.473 50 0 EIAAHN O=C(Nc1ccccc1CN1CCCC1)[C@@H]1C[C@H]1c1ccccc1F ZINC000084504688 564068357 /nfs/dbraw/zinc/06/83/57/564068357.db2.gz UAJXKPUARLARNJ-ZWKOTPCHSA-N 0 3 338.426 4.164 50 0 EIAAHN CC(C)[C@H](C)N1Cc2cccc(NCc3nnc(C(C)(C)C)o3)c2C1 ZINC000086205652 564075355 /nfs/dbraw/zinc/07/53/55/564075355.db2.gz OOHAPKSBQZRQOR-AWEZNQCLSA-N 0 3 342.487 4.339 50 0 EIAAHN Cc1ccccc1[C@@H]1CCCN1C(=O)CCN1CCc2ccccc2C1 ZINC000170597811 564109162 /nfs/dbraw/zinc/10/91/62/564109162.db2.gz BOLDPZYHKDUMPI-QFIPXVFZSA-N 0 3 348.490 4.107 50 0 EIAAHN Cc1ccc(CNCc2cccc3cccnc32)c(O[C@@H]2CCOC2)c1 ZINC000089623634 564112752 /nfs/dbraw/zinc/11/27/52/564112752.db2.gz VWPOITHDBOCHOX-HXUWFJFHSA-N 0 3 348.446 4.001 50 0 EIAAHN O=c1cc(CN2CCCCC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000002112468 564118060 /nfs/dbraw/zinc/11/80/60/564118060.db2.gz UBFUFMRKRXNGPA-UHFFFAOYSA-N 0 3 335.403 4.152 50 0 biogenic EIAAHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000170677577 564121408 /nfs/dbraw/zinc/12/14/08/564121408.db2.gz NXUZUKMPUTZNSE-BEFAXECRSA-N 0 3 326.440 4.030 50 0 EIAAHN COc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1NC(C)=O ZINC000095967569 564143090 /nfs/dbraw/zinc/14/30/90/564143090.db2.gz ZXTAGAMRNKVWAS-KRWDZBQOSA-N 0 3 344.842 4.084 50 0 EIAAHN C[C@H](c1ccccc1)N1CCC(NC(=O)CCc2ccsc2)CC1 ZINC000096407285 564147391 /nfs/dbraw/zinc/14/73/91/564147391.db2.gz VIZSAVAMPHGJIA-MRXNPFEDSA-N 0 3 342.508 4.023 50 0 EIAAHN COc1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000057446632 564154331 /nfs/dbraw/zinc/15/43/31/564154331.db2.gz MQJOMSKCKNFGEW-OAHLLOKOSA-N 0 3 334.419 4.138 50 0 EIAAHN COc1ccccc1NC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000057446631 564154345 /nfs/dbraw/zinc/15/43/45/564154345.db2.gz MQJOMSKCKNFGEW-HNNXBMFYSA-N 0 3 334.419 4.138 50 0 EIAAHN CC(C)[C@@H](NCC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000057647968 564155297 /nfs/dbraw/zinc/15/52/97/564155297.db2.gz GSMVYGFVLRZCNC-LJQANCHMSA-N 0 3 348.849 4.082 50 0 EIAAHN CCC[C@H](C)NCC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003291328 564157090 /nfs/dbraw/zinc/15/70/90/564157090.db2.gz JVXXLMNTHKEIPM-ZDUSSCGKSA-N 0 3 340.423 4.311 50 0 EIAAHN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1CN(C)C ZINC000031231547 564159206 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/nfs/dbraw/zinc/08/39/71/564083971.db2.gz NMCNBGXNTDSPAO-SFHVURJKSA-N 0 3 338.476 4.242 50 0 EIAAHN COC(=O)c1cc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)oc1C ZINC000170593954 564108974 /nfs/dbraw/zinc/10/89/74/564108974.db2.gz MYCAEKZZFUQCHT-LJQANCHMSA-N 0 3 327.424 4.329 50 0 EIAAHN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000170601623 564109343 /nfs/dbraw/zinc/10/93/43/564109343.db2.gz AZNDSWXVZQQKBH-OXQOHEQNSA-N 0 3 346.434 4.247 50 0 EIAAHN CCCOc1ccc(CNCc2c(C)nn(CCC)c2C)c(C)c1 ZINC000252485195 564119276 /nfs/dbraw/zinc/11/92/76/564119276.db2.gz GOYHOXDESMTOML-UHFFFAOYSA-N 0 3 329.488 4.297 50 0 EIAAHN CC(C)C(=O)OC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822716 564137250 /nfs/dbraw/zinc/13/72/50/564137250.db2.gz UPXITFPVTSHUBP-GOEBONIOSA-N 0 3 343.389 4.288 50 0 EIAAHN Cc1ccc(/C=C\C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000096158037 564145811 /nfs/dbraw/zinc/14/58/11/564145811.db2.gz SYNXLNYFDOEHGB-SEYXRHQNSA-N 0 3 348.490 4.051 50 0 EIAAHN Cc1ccc([C@H](C(=O)NC2CCCCC2)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000096319694 564146766 /nfs/dbraw/zinc/14/67/66/564146766.db2.gz VDERFUJMNKLXHF-LVCYWYKZSA-N 0 3 342.527 4.463 50 0 EIAAHN CS[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000096434805 564148009 /nfs/dbraw/zinc/14/80/09/564148009.db2.gz POBGPZZOZZEIKX-CPUCHLNUSA-N 0 3 335.517 4.057 50 0 EIAAHN CC(C)[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000096478025 564148517 /nfs/dbraw/zinc/14/85/17/564148517.db2.gz CQMSTLFMGHXWRX-IIBYNOLFSA-N 0 3 337.467 4.256 50 0 EIAAHN CCn1nc(C)c(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000096489628 564148723 /nfs/dbraw/zinc/14/87/23/564148723.db2.gz SDNGPPJGHXBTAY-INIZCTEOSA-N 0 3 338.455 4.041 50 0 EIAAHN COc1cccc2cc([C@@H](C)N[C@H](C)Cc3c(C)noc3C)oc21 ZINC000096493403 564148767 /nfs/dbraw/zinc/14/87/67/564148767.db2.gz RMBHCHRJRQYDGM-DGCLKSJQSA-N 0 3 328.412 4.328 50 0 EIAAHN C[C@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1cccs1)N1CCCC1 ZINC000003207161 564155972 /nfs/dbraw/zinc/15/59/72/564155972.db2.gz YWYIJPAYNZMWDV-SUMWQHHRSA-N 0 3 347.459 4.234 50 0 EIAAHN Cc1ccc([C@@H](C(=O)NC2CCCC2)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058012595 564157191 /nfs/dbraw/zinc/15/71/91/564157191.db2.gz RWNXKLSXBTXDBA-QKLQHJQFSA-N 0 3 328.500 4.073 50 0 EIAAHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccsc1 ZINC000031097332 564158792 /nfs/dbraw/zinc/15/87/92/564158792.db2.gz KOQUYSZSCHNJOK-INIZCTEOSA-N 0 3 335.448 4.092 50 0 EIAAHN CC1(C)C[C@H](N[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 ZINC000032124142 564160934 /nfs/dbraw/zinc/16/09/34/564160934.db2.gz UNXPLMJNVBBABN-XLIONFOSSA-N 0 3 339.435 4.052 50 0 biogenic EIAAHN CCCC[C@@H](C(=O)Nc1ccc2c(c1)CCCCO2)N(CC)CC ZINC000004311084 564161621 /nfs/dbraw/zinc/16/16/21/564161621.db2.gz BHYBAAIXRVBIQG-SFHVURJKSA-N 0 3 332.488 4.241 50 0 EIAAHN Cc1cc(CN[C@@H](C)c2ccncc2)c(C)n1-c1ccnn1C(C)C ZINC000007985280 564161834 /nfs/dbraw/zinc/16/18/34/564161834.db2.gz DXTGKGHPWAFTDC-INIZCTEOSA-N 0 3 337.471 4.117 50 0 EIAAHN Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCCCC1 ZINC000008714155 564166638 /nfs/dbraw/zinc/16/66/38/564166638.db2.gz WVFDRULNHMMDDJ-UHFFFAOYSA-N 0 3 349.272 4.387 50 0 EIAAHN CC(=O)c1ccccc1NC(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000008753073 564167291 /nfs/dbraw/zinc/16/72/91/564167291.db2.gz CEWPTAYMEWANIJ-FOIQADDNSA-N 0 3 338.451 4.203 50 0 EIAAHN